Crystal Lab › Prototype structures

Prototype structures 2126

Every structure type in the AFLOW prototype encyclopedia. Open one to see its atoms on their Wyckoff sites inside the cell with the symmetry elements of the group, the site table and the cell data. The 80 teaching structures with full 3D models are on the Crystal Lab home.

Triclinic (31)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
AlO₄P	Triclinic tridymite	P1 1	aP240		240	2.26
AsKSe₂	AsKSe₂ (P1)	P1 1	aP16		16	3.67
BiMn₇O₁₂	Triclinic BiMn₇O₁₂	P1 1	aP20		20	6.27
C₅H₁₁NaO₈S	NaC₅H₁₁O₈S	P1 1	aP26		26	1.84
FeS₂	FeS₂ (P1)	P1 1	aP12		12	5.01
Al₂O₅Si	Kyanite	P1̅ 2	aP32	S01	32	3.67
AlNaO₈Si₃	Albite	P1̅ 2	aP26	S68	26	2.64
As₁₈Ca₁₀Fe₁₀Pt₃	10-3-8 [Ca₁₀	P1̅ 2	aP42		42	6.51
B₂BaLi₄N₄	Li₄Ba	P1̅ 2	aP22		22	3.17
B₂Co₂O₅	Co₂B₂O₅	P1̅ 2	aP18		18	4.47
BH₃O₃	Boric Acid	P1̅ 2	aP28	G51	28	1.51
Bi₈K₂Se₁₃	α-K₂Bi₈Se₁₃	P1̅ 2	aP23		23	6.72
C₁₁H₇	Pentacene (C₁₁H₇)	P1̅ 2	aP72		72	1.31
C₂H₃	Hexamethylbenzene II	P1̅ 2	aP12		12	0.95
CaO₃Si	Wollastonite	P1̅ 2	aP30		30	2.91
Cf	High Pressure Californium (Cf)	P1̅ 2	aP4		4	24.51
Co₃H₂O₁₀Se₃	Co₃	P1̅ 2	aP36		36	4.18
Cu₃Ge₄Na₂O₁₂	Na₂Cu₃Ge₄O₁₂	P1̅ 2	aP21		21	4.71
Cu₃O₁₂(OH)₂P₄	Cu₃	P1̅ 2	aP21		21	3.67
CuF₆Zr	γ-CuZrF₆	P1̅ 2	aP14		14	5.25
CuH₁₀O₉S	Chalcanthite	P1̅ 2	aP42	H410	42	2.26
H₁₂N₂NiO₁₂	Ni	P1̅ 2	aP54		54	2.01
H₂S	H₂S (90 GPa)	P1̅ 2	aP6		6	3.77
Ho₂O₇Si₂	α-Ho₂Si₂O₇	P1̅ 2	aP44		44	6.23
I₄P₂	P₂I₄	P1̅ 2	aP6		6	4.23
Li₂O₄W	Li₂WO₄	P1̅ 2	aP28		28	5.70
Mn₃Na₂O₇	Na₂Mn₃O₇ Maple Leaf	P1̅ 2	aP24		24	3.91
Na₄O₄Si	Na₄SiO₄	P1̅ 2	aP18		18	2.67
O₃W	δ-WO₃	P1̅ 2	aP32		32	7.30
P	Low Temperature White Phosphorous	P1̅ 2	aP24		24	1.94
TaTi	TaTi (BCC SQS-16)	P1̅ 2	aP16		16	10.86

Monoclinic (350)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
Co₃O₁₄P₂Pb₃Te	Pb₃TeCo₃P₂O₁₄	P2 3	mP138		138	6.38
F₇KYb₂	β-KYb₂F₇	P2 3	mP10		10	5.40
Mo₅O₁₆U	Monoclinic UMo₅O₁₆	P2 3	mP22		22	5.50
O₂Si	Predicted SiO₂	P2 3	mP12		12	3.19
AlO₄P	Monoclinic tridymite	P2₁ 4	mP12		12	2.18
AlO₄P	AlPO₄-41	P2₁ 4	mP60		60	1.93
BiPd	α-BiPd	P2₁ 4	mP16		16	12.54
C₁₂H₂₂O₁₁	D-Sucrose (C₁₂H₂₂O₁₁)	P2₁ 4	mP90		90	1.59
C₆H₁₄O₇	α-D-Glucose Monohydrate	P2₁ 4	mP54		54	1.53
Ca₃O₆U	Ca₃UO₆	P2₁ 4	mP20		20	5.33
FeLi₂O₄Si	Monoclinic	P2₁ 4	mP32		32	3.20
H₂Li₂O₅S	Li₂SO₄cdotH₂O	P2₁ 4	mP20	H48	20	2.08
H₅K₂O₈P₂	Monoclinic KH₂PO₄	P2₁ 4	mP68		68	2.27
O₁₁P₄W₄	W₂O₃	P2₁ 4	mP60		60	5.31
Te	High-pressure Te	P2₁ 4	mP4		4	7.64
Al₁₇Mo₄	Al₁₇Mo₄	C2 5	mC84		84	4.31
AlCl₃	D0₁₅ (AlCl₃) Structure ( Obsolete ): AB3_mC16_5_c_3c-001	C2 5	mC16	D015	16	2.51
AlO₄P	Monoclinic AlPO₄-53	C2 5	mC72		72	2.15
As₂Nb	NbAs₂	C2 5	mC12		12	7.53
BaCCaO₃		C2 5	mC10		10	4.81
Bi₄O₁₁V₂	α-Bi₄V₂O₁₁	C2 5	mC112		112	8.15
Ca(H₂O)_0.5O₄S	Bassanite [CaSO₄	C2 5	mC90	H47	90	2.73
CaCu₆O₁₈P₄Rb₂	Rb₂CaCu₆	C2 5	mC62		62	4.20
CrPS₄	CrPS₄	C2 5	mC24		24	2.90
Po	A19 Po Structure ( Obsolete ): A_mC12_5_3c-001	C2 5	mC12	A19	12	9.29
STl	High Temperature Monoclinic TlS	C2 5	mC256		256	6.99
FeNi	Tetrataenite (FeNi)	Pm 6	mP4		4	8.27
Mo₈P₅	Mo₈P₅	Pm 6	mP13		13	8.25
Ta₅Ti₁₁	Ta₅Ti₁₁ (BCC SQS-16)	Pm 6	mP16		16	8.49
AlO₄P	Monoclinic tridymite	Pc 7	mP288		288	2.22
As₂Ba	BaAs₂	Pc 7	mP18		18	5.48
AuTe₂	Calaverite (AuTe₂)	Pc 7	mP12		12	9.37
BaF₄Zn	High Pressure BaZnF₄	Pc 7	mP24		24	5.97
Bi₄O₁₂Ti₃	Monoclinic Bi₄Ti₃O₁₂ m = 3 Aurivillius	Pc 7	mP38		38	8.04
Ca₆Na₂O₁₅Si₄	Na₂Ca₆Si₄O₁₅	Pc 7	mP54		54	3.08
CrCuP₂S₆	α-CuCrP₂S₆	Pc 7	mP40		40	3.15
Ga₉Rh₂	Rh₂Ga₉	Pc 7	mP22		22	7.67
H₂S	H₂S IV	Pc 7	mP12		12	2.61
Mo₈O₂₃	Low Temperature Mo₈O₂₃	Pc 7	mP124		124	4.32
O₃W	ε-WO₃	Pc 7	mP16		16	7.39
Al₁₃Co₄	Monoclinic Co₄Al₁₃	Cm 8	mC102		102	4.04
Al₄W	Al₄W	Cm 8	mC30		30	6.04
BiMn₇O₁₂	Monoclinic BiMn₇O₁₂	Cm 8	mC40		40	6.24
CuLa₂O₄	Base-Centered Monoclinic La₂CuO₄	Cm 8	mC28		28	7.07
KNO₂	F5₁₁ (KNO₂) Structure ( Obsolete ): ABC2_mC8_8_a_a_b-001	Cm 8	mC8	F511	8	1.92
O₃PbZr	Monoclinic PZT [Pb	Cm 8	mC10		10	8.51
TaTi₃	TaTi₃-I (BCC SQS-16)	Cm 8	mC32		32	7.70
TaTi₃	TaTi₃-II (BCC SQS-16)	Cm 8	mC32		32	7.70
Al₂H₄O₉Si₂	Nacrite [Al₂Si₂O₅	Cc 9	mC68	S54	68	2.61
Cd₄GeS₆	GeCd₄S₆	Cc 9	mC44		44	4.67
ClH₃	H₃Cl	Cc 9	mC16		16	2.19
Cs₆O₃₆W₁₁	Cs₆W₁₁O₃₆	Cc 9	mC212		212	6.70
CuInP₂S₆	CuInP₂S₆	Cc 9	mC44		44	3.93
Ga₂Se₃	Room Temperature Ga₂Se₃	Cc 9	mC20		20	5.09
In₂Te₅	In₂Te₅ (I)	Cc 9	mC28		28	5.93
LiO₄PZn	α-LiZnPO₄	Cc 9	mC224		224	3.30
Mg₃O₅(OH)₄Si₂	Chrysotile [Mg₃Si₂O₅	Cc 9	mC56		56	2.51
N₅P₃	α-P₃N₅	Cc 9	mC32		32	2.77
O₂Si	Monoclinic	Cc 9	mC144		144	2.26
AgAuTe₂	Muthmannite	P2/m 10	mP8		8	11.10
BFe_1.315Mg_0.56O₅Sn_0.1	Hulsite [	P2/m 10	mP18		18	4.48
C	S-carbon	P2/m 10	mP8		8	3.45
C₂CaO₄	β-CaC₂O₄	P2/m 10	mP28		28	1.88
Cl₂Pd	δ-Pd₂Cl	P2/m 10	mP6		6	3.82
ClH₃	H₃Cl	P2/m 10	mP16		16	5.83
LiSn	α-LiSn	P2/m 10	mP6		6	5.08
As₂EuFe	EuFeAs₂	P2₁/m 11	mP8		8	7.17
AsO₄Sb	SbAsO₂	P2₁/m 11	mP12		12	4.92
BaC₂CaO₆	Barytocalcite	P2₁/m 11	mP20		20	3.71
Bi₈K₂Se₁₃	β-K₂Bi₈Se₁₃	P2₁/m 11	mP46		46	6.79
C₂HO₂	Squaric Acid	P2₁/m 11	mP20		20	1.91
CaSb₂	CaSb₂	P2₁/m 11	mP6		6	5.45
ClKO₃	KClO₃	P2₁/m 11	mP10	G06	10	2.39
Ho₂S₃	Ho₂S₃	P2₁/m 11	mP30		30	6.05
HO₂Y	YO	P2₁/m 11	mP6		6	4.62
K₂O₅S₂	K₂S₂O₅	P2₁/m 11	mP18	K01	18	2.36
Li₇Sn₃	Li₇Sn₃	P2₁/m 11	mP20		20	3.66
Mo₂S₃	Mo₂S₃	P2₁/m 11	mP10		10	5.81
NbPt₃	β-NbPt₃	P2₁/m 11	mP16		16	18.38
NbSe₃	NbSe₃	P2₁/m 11	mP24		24	6.43
NiTi	NiTi	P2₁/m 11	mP4		4	6.46
O₇Si₂Y₂	Yttrialite	P2₁/m 11	mP22		22	4.08
Pt₆Si₅	Pt₆Si₅	P2₁/m 11	mP22		22	13.38
Pu	α-Pu	P2₁/m 11	mP16		16	20.26
Se₃Zr	ZrSe₃	P2₁/m 11	mP8		8	5.74
(H₂O)Mg₆O₁₁(OH)₆Si₄	Chrysotile [Mg₆O₁₁Si₄	C2/m 12	mC112	S45	112	2.44
Ag₃Ir₂LiO₆	Ag₃LiIr₂O₆	C2/m 12	mC24		24	8.91
Al₁₃Fe₄	Al₁₃Fe₄	C2/m 12	mC102		102	3.85
Al₁₃Os₄	Os₄Al₁₃	C2/m 12	mC34		34	7.04
Al₄₅V₇	Al₄₅V₇	C2/m 12	mC104		104	3.10
Al₅Fe₂H₂O₁₂Si₂	Staurolite	C2/m 12	mC84		84	4.17
Al₈Mo₃	Al₈Mo₃	C2/m 12	mC22		22	5.04
AlCl₃	AlCl₃	C2/m 12	mC16		16	2.51
AlCu	CuAl	C2/m 12	mC20		20	5.36
AlKO₈Si₃	Sanidine	C2/m 12	mC52	S67	52	2.57
AlLiO₂	Predicted ζ-LiAlO₂	C2/m 12	mC24		24	4.31
AlNbO₄	AlNbO₄	C2/m 12	mC24		24	4.35
As₂Te₃	α-As₂Te₃	C2/m 12	mC20		20	6.24
As₃Mo₂	Mo₂As₃	C2/m 12	mC20		20	8.06
AsPd₅	Pd₅As	C2/m 12	mC24		24	11.34
AsSi	SiAs	C2/m 12	mC24		24	3.82
Au₁₁Mn₃	Au₁₁Mn₃	C2/m 12	mC28		28	17.44
Au₂P₃	Au₂P₃	C2/m 12	mC20		20	8.61
Au₅Mn₂	Au₅Mn₂	C2/m 12	mC14		14	15.58
AuTe₂	Calaverite (AuTe₂, C34)	C2/m 12	mC6	C34	6	9.35
BaIrO₃	β-BaIrO₃ Perovskite	C2/m 12	mC50		50	9.10
BaIrO₃	α-BaIrO₃ Perovskite	C2/m 12	mC60		60	8.85
BaMn₂O₄	Hollandite (BaMn₂O₄)	C2/m 12	mC26		26	5.76
BaO₃Pb	α-BaPbO₃ Perovskite	C2/m 12	mC20		20	8.43
Bi₂Pd	α-Bi₂Pd	C2/m 12	mC12		12	11.63
BiI	β-BiI	C2/m 12	mC16		16	6.99
BiI	γ-BiI	C2/m 12	mC16		16	6.90
BiI	α-BiI	C2/m 12	mC32		32	7.09
BiNi	NiBi	C2/m 12	mC66		66	11.67
BrCGd	GdCBr	C2/m 12	mC12		12	6.25
C	M-carbon	C2/m 12	mC16		16	3.45
C₂Ca	CaC₂-III	C2/m 12	mC12		12	2.17
C₄RhSc₃	Sc₃RhC₄	C2/m 12	mC32		32	5.14
Ca₂H₂Mg₅O₂₄Si₈	Tremolite	C2/m 12	mC82	S42	82	2.98
Cl₂Cu	Tolbachite	C2/m 12	mC6		6	3.39
Cl₂H₁₂MgO₆	Bischofite	C2/m 12	mC42	J17	42	1.59
Cl₃Gd₂	Gd₂Cl₃	C2/m 12	mC20		20	5.23
ClHg₃IS₂	Radtkeite	C2/m 12	mC56		56	7.13
ClZr	Monoclinic ZrCl	C2/m 12	mC8		8	4.67
Co₂Ge₄Pr₅	Pr₅Co₂Ge₄	C2/m 12	mC40		40	7.14
CoGe	CoGe	C2/m 12	mC16		16	8.12
CoZn₁₃	CoZn₁₃	C2/m 12	mC28		28	7.53
Cr₃S₄	Brezinaite (Cr₃S₄)	C2/m 12	mC14		14	4.10
Cr₅Se₈Tl	TlCr₅Se₈	C2/m 12	mC28		28	6.22
Cr₇Se₈	Cr₇Se₈	C2/m 12	mC30		30	5.91
Cu₂O₅S	Dolerophanite [Cu₂O	C2/m 12	mC32		32	4.17
F₇Ho₂K	α-KHo₂F₇	C2/m 12	mC80		80	5.98
FeSe₂Tl	Monoclinic FeTlSe₂	C2/m 12	mC16		16	6.74
Ga₂O₃	β-Ga₂O₃	C2/m 12	mC20		20	5.96
Ge₂Os	OsGe₂	C2/m 12	mC12		12	11.93
H₃LiO₂	LiOHcdotH₂O	C2/m 12	mC24	B36	24	1.53
H₈K₂MnO₁₂S₂	Manganese-leonite [K₂Mn	C2/m 12	mC112	H423	112	2.59
HgO₂	α-HgO₂	C2/m 12	mC6		6	9.48
K₂O₅Ti₂	K₂Ti₂O₅	C2/m 12	mC18		18	3.00
Li₂MnO₃	Li₂MnO₃	C2/m 12	mC24		24	3.88
Li₃O₆SbZn₂	Li₃Zn₂SbO₆	C2/m 12	mC24		24	5.31
MgZn₅	D2₂ (MgZn₅?) Structure ( Problematic ): AB5_mC48_12_2i_ac5i2j-001	C2/m 12	mC48	D22	48	3.32
Mn₇O₁₂Pr	PrMn₇O₁₂	C2/m 12	mC40		40	5.77
MnPS₃	MnPS₃	C2/m 12	mC20		20	2.92
Na₂O₇U₂	β-Na₂U₂O₇	C2/m 12	mC44		44	6.39
NaNiO₂	Monoclinic NaNiO₂	C2/m 12	mC8		8	4.77
Nb₁₂O₂₉	Monoclinic Nb₁₂O₂₉	C2/m 12	mC82		82	4.58
Nb₂Se	Nb₂Se	C2/m 12	mC24		24	7.92
Nb₇P₄	Nb₇P₄	C2/m 12	mC44		44	7.47
NbTe₂	NbTe₂	C2/m 12	mC18		18	7.36
Ni₃Sn₄	δ-Ni₃Sn₄ (D7_a)	C2/m 12	mC14	D7a	14	8.65
Ni₄Pu	PuNi₄	C2/m 12	mC30		30	11.45
NiO₂	NiO₂	C2/m 12	mC6		6	4.85
NiO₆Sr₂Te	Sr₂NiTeO₆	C2/m 12	mC40		40	6.16
NSr	SrN	C2/m 12	mC16		16	3.92
O	α-O₂	C2/m 12	mC4		4	1.53
O₆PbV₂	Metastable PbV₂O₆	C2/m 12	mC36		36	5.30
O₇Sc₂Si₂	Thortveitite	C2/m 12	mC22	S21	22	3.27
PdSe₆Ta₂	Ta₂PdSe₆	C2/m 12	mC18		18	7.96
Pu	β-Pu	C2/m 12	mC34		34	18.06
Rh₃S₄	Rh₃S₄: A3B4_mC42_12_ahij_2i2j-001	C2/m 12	mC42		42	6.70
RuU₂	RuU₂	C2/m 12	mC12		12	16.92
S₇Y₅	Y₅S₇	C2/m 12	mC24		24	4.10
S₈V₅	V₅S₈	C2/m 12	mC26		26	3.97
AgAuTe₄	Sylvanite (AgAuTe₄, E1_b)	P2/c 13	mP12	E1b	12	8.13
AgCrP₂S₆	AgCrP₂S₆	P2/c 13	mP20		20	3.40
Ba₃CoIr₂O₉	Monoclinic (II) Ba₃CoIr₂O₉	P2/c 13	mP60		60	8.13
ClCu₄O₆V	β-Cu₄O₂	P2/c 13	mP24		24	4.57
CuPt₂S₄	Cu	P2/c 13	mP28		28	7.77
H₂S	H₂S (15 GPa)	P2/c 13	mP12		12	2.11
InNaO₈W₂	NaIn	P2/c 13	mP24		24	7.14
IPSn	SnIP	P2/c 13	mP42		42	4.77
MgO₄W	Huanzalaite	P2/c 13	mP12	H06	12	6.93
Mo₈O₂₃	Approximate High Temperature Mo₈O₂₃	P2/c 13	mP62		62	4.28
O₅V₃	Room Temperature V₃O₅	P2/c 13	mP32		32	4.72
P	Monoclinic (Hittorf's) Phosphorus	P2/c 13	mP84		84	2.36
S	Rosickýite (γ-monoclinic Sulfur)	P2/c 13	mP32		32	2.03
(NH₄)O₄S	Ammonium Persulfate [	P2₁/c 14	mP24	K41	24	1.88
Ag₂S	Acanthite (Ag₂S)	P2₁/c 14	mP12		12	7.26
Ag₃S₃Sb	Pyrostilpnite	P2₁/c 14	mP28		28	5.91
AgC₁₀H₄N₄	Ag	P2₁/c 14	mP152		152	1.89
AgCuO₄P	α-AgCuPO₄	P2₁/c 14	mP28		28	5.42
AgMnO₄	AgMnO₄ (H0₉)	P2₁/c 14	mP24	H09	24	4.51
AgTe₂Tl₃	AgTe₂Tl₃	P2₁/c 14	mP24		24	8.96
Al₂H₉O₁₁NP₂		P2₁/c 14	mP100		100	2.38
Al₃C₄HNO₁₃P₃		P2₁/c 14	mP100		100	2.25
Al₉Co₂	Co₂Al₉	P2₁/c 14	mP22		22	3.60
AlF₆Na₃	Cryolite	P2₁/c 14	mP20	J26	20	2.96
As₂Nd	NdAs₂	P2₁/c 14	mP12		12	6.97
As₂Rh₂Sr	α-SrRh₂As₂	P2₁/c 14	mP20		20	7.53
As₂S₃	Orpiment (As₂S₃, D5_f)	P2₁/c 14	mP20	D5f	20	3.53
AsFeS	Arsenopyrite	P2₁/c 14	mP12	E07	12	6.16
AsLi	LiAs	P2₁/c 14	mP16		16	3.77
AsS	Pararealgar (AsS)	P2₁/c 14	mP32		32	3.52
AsS	Realgar (AsS, B_l)	P2₁/c 14	mP32	Bl	32	3.61
AsS₂Tl	Lorándite	P2₁/c 14	mP32		32	5.51
AuBr₄(H₂O)₂K	KAuBr₄·2H₂O	P2₁/c 14	mP32	H419	32	3.81
AuBr₄K	Anhydrous KAuBr₄	P2₁/c 14	mP24		24	4.84
B₂H₆	P2₁/c -B₂H₆	P2₁/c 14	mP16		16	0.60
B₂H₆	β-B₂H₆	P2₁/c 14	mP16		16	0.58
Ba₄Ir₃O₁₀	Ba₄Ir₃O₁₀	P2₁/c 14	mP34		34	6.88
BHO₂	Clinometaborite	P2₁/c 14	mP48		48	2.05
Bi₂MoO₆	High temperature Bi₂MoO₆	P2₁/c 14	mP144		144	7.49
Bi₂O₃	α-Bi₂O₃	P2₁/c 14	mP20		20	9.37
C₂Cu₃H₂O₈	Azurite [Cu₃	P2₁/c 14	mP30	G74	30	3.81
C₂CuNa₂O₆	Juangodoyite [Na₂Cu	P2₁/c 14	mP22		22	2.98
C₃₀H₃₀N₈O₈Zn	[Zn₂(Benzoato)₄(Caffeine)₂]·2 -- Caffeine (C₃₀H₃₀N₈O₈Zn)	P2₁/c 14	mP308		308	1.50
C₃H₆O	Propanal (C₃H₆O)	P2₁/c 14	mP40		40	1.08
C₄K₂N₄Ni	K₂Ni	P2₁/c 14	mP22		22	1.86
C₆Cl₆	ε-1,2,3,4,5,6-Hexachloro cyclo hexane (C₆Cl₆)	P2₁/c 14	mP24		24	1.81
C₆H₄K₂N₆O₂PtS₆	K₂Pt	P2₁/c 14	mP54		54	2.38
C₇H₅N₃O₆	Monoclinic 2-4-6 Trinitrotoluene (C₇H₅N₃O₆)	P2₁/c 14	mP168		168	1.71
C₇H₈	α-Toluene (C₇H₈)	P2₁/c 14	mP120		120	1.07
Ca₂O₄Si	Larnite	P2₁/c 14	mP28		28	4.04
Ca₂O₅U	Ca₂UO₅	P2₁/c 14	mP32		32	5.67
Ca₂O₇P₂	α-Ca₂P₂O₇	P2₁/c 14	mP44		44	2.94
CaO₃Si	Parawollastonite	P2₁/c 14	mP60	S33(II)	60	2.91
CdCuO₆Se₂	CdCu	P2₁/c 14	mP40		40	5.05
CdP₄	CdP₄	P2₁/c 14	mP10		10	3.80
Ce₇Ge₂Pd₄	Ce₇Pd₄Ge₂	P2₁/c 14	mP52		52	4.92
CH₄N₂O₂	N-Hydroxyurea (CH₄N₂O₂)	P2₁/c 14	mP36		36	1.63
CHNaO₃	Nahcolite	P2₁/c 14	mP24	G012	24	2.19
Cl₂Hg₃O₂	HgCl₂·2HgO	P2₁/c 14	mP14		14	8.59
Cl₂O₅Sb₄	Sb₄O₅Cl₂	P2₁/c 14	mP22		22	4.95
Cl₂Pd	γ-PdCl₂	P2₁/c 14	mP6		6	4.49
Cl₃CuK	Sanguite	P2₁/c 14	mP20		20	2.88
Cl₄(H₂O)IK	KICl₄cdotH₂O	P2₁/c 14	mP28	H010	28	2.52
Cl₆K₂Sn	Phase I K₂SnCl₆	P2₁/c 14	mP18		18	2.77
ClCsCu₅O₁₀V₂	Monoclinic Averievite [	P2₁/c 14	mP40		40	4.98
ClCuHO	Cu	P2₁/c 14	mP16		16	3.75
ClF₃	Monoclinic ClF₃	P2₁/c 14	mP32		32	2.38
ClI	α-ICl	P2₁/c 14	mP16		16	3.77
Co₃Nd₄O₁₀	Nd₄Co₃O₁₀	P2₁/c 14	mP68		68	7.56
Cr₂O₁₁Te₄	Cr₂Te₄O₁₁	P2₁/c 14	mP34		34	5.17
CrTe₃	CrTe₃	P2₁/c 14	mP32		32	6.43
Cs₁₁O₃	Cs₁₁O₃	P2₁/c 14	mP56		56	2.61
Cu₂O₄Se	Monoclinic Cu₂OSeO₃	P2₁/c 14	mP28		28	5.12
Cu₅O₁₀V₂	Stoiberite [Cu₅O₂	P2₁/c 14	mP68		68	4.93
CuH₂₀N₂O₁₄S	Tutton salt [Cu	P2₁/c 14	mP78	H44	78	1.92
CuNa₂O₇P₂	α-Na₂CuP₂O₇	P2₁/c 14	mP48		48	3.10
CuO₄Te	CuTeO₄	P2₁/c 14	mP24		24	6.34
Er₂O₇Si₂	Er₂Si₂O₇	P2₁/c 14	mP22		22	5.98
ErLiO₂	β-LiErO₂	P2₁/c 14	mP16		16	6.76
F₇K₂Nb	K₂NbF₇	P2₁/c 14	mP40	K62	40	3.20
Fe₂O₁₂S₃	Monoclinic Fe₂	P2₁/c 14	mP68		68	3.23
FeLi₂O₄Si	Monoclinic	P2₁/c 14	mP32		32	3.19
GaPS₄	GaPS₄	P2₁/c 14	mP24		24	2.73
Gd₂O₅Si	Gd₂SiO₅	P2₁/c 14	mP32		32	6.67
GeNa	NaGe	P2₁/c 14	mP32		32	3.11
H₁₁Ir₂Mg₆	Mg₆Ir₂H₁₁: A13B2C6_mP168_14_26e_4e_12e-001	P2₁/c 14	mP168		168	4.40
H₈K₂MnO₁₂S₂	Manganese-leonite 110K [K₂Mn	P2₁/c 14	mP100		100	2.33
HgMnO₃	HgMnO₃ HP1	P2₁/c 14	mP20		20	9.12
K₃SnTe₃	K₃SnTe₃ (K₆Sn₂Te₆)	P2₁/c 14	mP28		28	3.66
KNO₂	KNO₂ III	P2₁/c 14	mP16		16	2.02
LaO₄P	Monasite	P2₁/c 14	mP24		24	5.08
LiO₂Sm	δ-LiSmO₂	P2₁/c 14	mP16		16	6.65
Mn₃O₆Te	High Pressure Mn₃TeO₆ Double Perovskite	P2₁/c 14	mP20		20	5.72
MnHO₂	Manganite	P2₁/c 14	mP16	E06	16	4.32
MnO₆Sr₂Te	Sr₂MnTeO₆	P2₁/c 14	mP20		20	5.80
Na₂O₇U₂	α-Na₂U₂O₇	P2₁/c 14	mP44		44	6.47
NS	NS	P2₁/c 14	mP32		32	2.26
O₂Zr	Baddeleyite	P2₁/c 14	mP12	C4₃	12	5.81
O₃Pb₂	Pb₂O₃	P2₁/c 14	mP20		20	10.07
O₃TeTl₂	β-Tl₂TeO₃	P2₁/c 14	mP24		24	7.96
O₃W	γ-WO₃	P2₁/c 14	mP32		32	7.19
O₇Si₂Y₂	γ-Y₂Si₂O₇	P2₁/c 14	mP24		24	4.25
OS₂Y₂	Y₂OS₂	P2₁/c 14	mP20		20	4.46
P₂Zn	Monoclinic	P2₁/c 14	mP24		24	3.54
PPd₆	Pd₆P	P2₁/c 14	mP28		28	10.79
Pt₅Se₄	Luberoite (Pt₅Se₄)	P2₁/c 14	mP18		18	12.98
S	β-monoclinic Sulfur	P2₁/c 14	mP64		64	2.68
S₃Tl₄	Tl₄S₃	P2₁/c 14	mP28		28	7.76
Se	β-Se (A_l)	P2₁/c 14	mP32	Al	32	4.35
Se	α-monoclinic Selenium	P2₁/c 14	mP32		32	4.40
Se	α-Se (A_k)	P2₁/c 14	mP64	Ak	64	4.33
(H₂O)_1.86Mg₂O₅(OH)Si₂	Vermiculite [Mg₂Si₂O₅	C2/c 15	mC104		104	1.91
(H₂O)₂Na₂O₉Si₃Zr	Catapleiite	C2/c 15	mC144		144	2.69
Ag₂O₂Pb	Ag₂PbO₂	C2/c 15	mC20		20	8.71
Ag₃AsS₃	Xanthoconite (Ag₃AsS₃)	C2/c 15	mC56		56	5.45
AgAsS₂	Smithite (AgAsS₂)	C2/c 15	mC96		96	4.93
AgS₂Sb	Miargyrite	C2/c 15	mC32		32	5.26
Al₃H₂KO₁₂Si₃	Muscovite	C2/c 15	mC76	S51	76	2.81
AlHO₆Si₂	Pyrophyllite [AlSi₂O₅	C2/c 15	mC72	S56	72	2.85
AlO₄P	Calcined AlPO₄-18	C2/c 15	mC144		144	1.50
AuSbTe	Pampaloite (AuSbTe)	C2/c 15	mC24		24	9.33
B₂Pd₅	B₂Pd₅	C2/c 15	mC28		28	10.69
B₃Ni₄	Monoclinic Ni₄B₃	C2/c 15	mC28		28	7.44
Ba₃CoIr₂O₉	Monoclinic (I) Ba₃CoIr₂O₉ Perovskite	C2/c 15	mC60		60	8.13
BaC₄(H₂O)₄N₄Ni	BaNi	C2/c 15	mC56	H422	56	1.92
BaMnNa₂O₈V₄	Monoclinic Na₂BaMn	C2/c 15	mC56		56	4.05
BeHNaO₈Si₃	Eudidymite (BeHNaO₈Si₃)	C2/c 15	mC124		124	2.67
Br₂Pd	PdBr₂	C2/c 15	mC12		12	5.38
C₂H₂N₂OS₂	Rhodan Hydrate	C2/c 15	mC72		72	1.86
C₂H₂O₅Rb₂	Rb₂C₂O₄cdotH₂O	C2/c 15	mC36		36	2.69
C₂Th	ThC₂	C2/c 15	mC12		12	9.16
CaFeO₆Si₂	Esseneite	C2/c 15	mC40		40	3.69
CaH₄O₆S	Gypsum	C2/c 15	mC48	H46	48	2.32
CaMgO₆Si₂	Diopside [CaMg	C2/c 15	mC40	S41	40	3.20
CaO₅SiTi	Titanite	C2/c 15	mC32	S06	32	3.54
Cd₃H₁₆O₂₀S₃		C2/c 15	mC168	H420	168	3.09
Cl₂Ni₅O₁₂Te₄	Ni₅	C2/c 15	mC92		92	5.19
Cl₄SSm₂	Sm₂SCl₄	C2/c 15	mC28		28	4.67
ClH₃	H₃Cl	C2/c 15	mC16		16	2.82
CLi₂O₃	Zabuyelite	C2/c 15	mC24		24	2.10
Co₃Lu₂Si₅	Lu₂Co₃Si₅	C2/c 15	mC40		40	7.67
CoGeO₃	CoGeO₃	C2/c 15	mC40		40	5.42
CrCuP₂S₆	β-CuCrP₂S₆	C2/c 15	mC52		52	4.79
CrP₄	CrP₄	C2/c 15	mC20		20	3.87
CrS	CrS	C2/c 15	mC8		8	4.14
Cs₃GeTe₃	Cs₃GeTe₃ (Cs₆Ge₂Te₆)	C2/c 15	mC56		56	4.67
Cu₂Mo₃O₁₂Rb₂	Rb₂Cu{2}	C2/c 15	mC152		152	3.98
Cu₂Se	Low Temperature Cu₂Se	C2/c 15	mC144		144	6.80
Cu₆Sn₅	η'-Cu₆Sn₅	C2/c 15	mC44		44	8.31
CuNa₂O₇P₂	β-Na₂CuP₂O₇	C2/c 15	mC48		48	3.07
CuO	Tenorite (CuO, B26)	C2/c 15	mC8	B26	8	6.52
F₂	α-F₂	C2/c 15	mC8		8	1.97
F₂Sn	α-SnF₂	C2/c 15	mC48		48	4.88
Fe₂MnNaO₁₂P₃	Alluaudite [NaMnFe₂	C2/c 15	mC76		76	3.59
Fe₇S₈	Monoclinic Pyrrhotite (Fe₇S₈)	C2/c 15	mC60		60	4.81
FeKS₂	KFeS₂	C2/c 15	mC16	F5a	16	2.66
FeLiO₂	beta'-LiFeO₂	C2/c 15	mC32		32	4.38
FeLiO₈W₂	Wodginite	C2/c 15	mC48		48	7.19
Ga	β-Ga Structure ( Obsolete ): A_mC4_15_e-001	C2/c 15	mC4		4	6.24
Gd₂Mo₃O₁₂	α-Gd₂	C2/c 15	mC68		68	5.65
H	H-III (300 GPa)	C2/c 15	mC24		24	1.15
H₂LiN	Phase II LiNH₂	C2/c 15	mC32		32	1.43
H₂O₄S	Sulfuric Acid	C2/c 15	mC28		28	2.09
H₈K4₂MnO₁₂S₂	Manganese-leonite 185K [K₂Mn	C2/c 15	mC200		200	2.32
In₂Te₅	In₂Te₅ (II)	C2/c 15	mC84		84	5.85
IrSrO₃	α-SrIrO₃ Perovskite	C2/c 15	mC60		60	8.56
KBrCu₅O₂(PO₄)₂	Averievite [	C2/c 15	mC80		80	4.51
Li₂O₄W	Li₂WO₄	C2/c 15	mC28		28	6.00
Mg₃O₅(OH)₄Si₂	Clinochlore [Mg₃	C2/c 15	mC112	S55	112	2.63
MoO₁₁P₃Si	MoP₃SiO₁₁	C2/c 15	mC128		128	3.19
Na₂O₃Pr	α-Na₂PrO₃	C2/c 15	mC48		48	4.60
Na₃O₁₂PSi₂Zr₂	True Low Nasicon	C2/c 15	mC92		92	3.67
NaSi	NaSi	C2/c 15	mC32		32	1.74
Nb₂O₅	ζ-Nb₂O₅ (B-Nb₂O₅)	C2/c 15	mC28		28	5.28
Nb₂O₆Sn	Foordite	C2/c 15	mC36		36	3.48
NiSe₅Ta₂	Ta₂NiSe₅	C2/c 15	mC32		32	7.72
NSe	NSe	C2/c 15	mC32		32	4.21
O₂Sb	Clinocervantite	C2/c 15	mC24		24	6.68
O₂Si	Coesite	C2/c 15	mC48		48	2.92
O₄Os	OsO₄	C2/c 15	mC20		20	5.17
O₅SiY₂	Y₂SiO₅	C2/c 15	mC64		64	4.43
O₅V₃	Oxyvanite	C2/c 15	mC32		32	4.68
O₇V₂Zn₂	α-Zn₂V₂O₇	C2/c 15	mC44		44	3.93
PdP₂	PdP₂	C2/c 15	mC12		12	5.64
S₄V	VS₄	C2/c 15	mC40		40	2.83
STa₆	Ta₆S	C2/c 15	mC56		56	15.20

Orthorhombic (575)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
AlPS₄	AlPS₄	P222 16	oP12		12	2.15
Mo₅O₁₆U	Orthorhombic UMo₅O₁₆	P222 16	oP23		23	6.07
Ag₂Se	α-Naumannite (Ag₂Se)	P222₁ 17	oP12		12	6.87
B₉CsO₁₄	CsB₉O₁₄	P222₁ 17	oP96		96	2.48
NaNbO₃	Ferroelectric NaNbO₃ P222₁ Lueshite Perovskite	P222₁ 17	oP40		40	4.58
AgClHgS	Capgaronnite [HgScdotAg	P2₁2₁2 18	oP16		16	6.30
BaS₃	BaS₃ (original D0₁₇)	P2₁2₁2 18	oP16		16	4.01
ClH₁₂N₅Zn	Diamminetriamidodizinc Chloride	P2₁2₁2 18	oP40		40	2.13
O₂Te	γ-TeO₂ Structure	P2₁2₁2 18	oP12		12	5.80
Ag₂Se	Nauminnite (Ag₂Se II)	P2₁2₁2₁ 19	oP12		12	8.24
Al₂FKO₉P₂	K[Al₂	P2₁2₁2₁ 19	oP64		64	2.65
Al₃CNO₁₄P₃	AlPO₄-53	P2₁2₁2₁ 19	oP176		176	2.29
AlCl₄Na	NaAlCl₄	P2₁2₁2₁ 19	oP24		24	2.02
C₄CaH₈O₇	Ca-Malate-dihydrate	P2₁2₁2₁ 19	oP80		80	1.81
CH₂O	β-Arabinose	P2₁2₁2₁ 19	oP80		80	1.62
CH₂O	Anhydrous α-D-Glucose	P2₁2₁2₁ 19	oP96		96	1.56
CH₂O	Anhydrous β-D-Glucose	P2₁2₁2₁ 19	oP96		96	1.52
Cl₃H	H₃Cl	P2₁2₁2₁ 19	oP16		16	3.50
F₂Sn	β-SnF₂	P2₁2₁2₁ 19	oP12		12	4.79
H₁₄NiO₁₁S	Morenosite	P2₁2₁2₁ 19	oP108	H412	108	1.97
H₂O₂Zn	Wülfingite	P2₁2₁2₁ 19	oP20	C31	20	3.09
H₂O₃Se	Selenous Acid	P2₁2₁2₁ 19	oP24		24	3.08
H₂O₄Se	Selenic Acid	P2₁2₁2₁ 19	oP28		28	3.10
H₆NO₄P	Ferroelectric	P2₁2₁2₁ 19	oP48		48	1.81
NaP	NaP	P2₁2₁2₁ 19	oP16		16	2.08
Nd₂O₇Si₂	Nd₂Si₂O₇	P2₁2₁2₁ 19	oP44		44	4.98
O₂Si	Orthorhombic Tridymite	P2₁2₁2₁ 19	oP72		72	2.24
O₇Re₂	Re₂	P2₁2₁2₁ 19	oP72		72	6.21
AlF₅Tl₂	K3₃	C222₁ 20	oC32	K33	32	5.70
AlO₄P	α	C222₁ 20	oC24		24	2.29
CrO₃	D0₇ (CrO₃) Structure ( Obsolete ): AB3_oC16_20_a_bc-001	C222₁ 20	oC16	D07	16	2.89
Cs₄Mo₅O₂₂P₂	Cs₄Mo₅P₂O₂₂: A4B5C22D2_oC132_20_abc_a2c_2a10c_c-001	C222₁ 20	oC132		132	3.93
Na₂Tl	Na₂Tl	C222₁ 20	oC48		48	4.60
O₂Si	α	C222₁ 20	oC24		24	2.20
O₇TaY₃	Y₃TaO₇	C222₁ 20	oC44		44	6.41
HoSb₂	HoSb₂	C222 21	oC6		6	8.94
HTa₂	Ta₂H	C222 21	oC6		6	15.72
Ni₉S₈	Godlevskite (Ni₉S₈)	C222 21	oC68		68	5.28
B₂CeRu₂	CeRu₂B₂	F222 22	oF40		40	8.21
FeS	Low temperature FeS	F222 22	oF8		8	3.70
BPS₄	BPS₄	I222 23	oI12		12	2.13
Cu₈Fe₂S₁₂Sn₂Zn	Stannoidite	I222 23	oI50		50	4.62
FeNaS₂	NaFeS₂	I222 23	oI16		16	2.60
H₃S	H₃S (5 GPa)	I222 23	oI32		32	1.43
AlF₇MgNa₂	Weberite	I2₁2₁2₁ 24	oI44		44	2.98
K₂PdSe₁₀	K₂PdSe₁₀	I2₁2₁2₁ 24	oI104		104	3.98
Ag₃Sb	Dyscrasite	Pmm2 25	oP4		4	9.77
CdTe	High-pressure CdTe	Pmm2 25	oP2		2	8.91
Au₅Zn₃	Metastable Au₅Zn₃	Pmc2₁ 26	oP16		16	15.36
BaMn₂O₆Sm	Low Temperature SmBaMn₂O₆	Pmc2₁ 26	oP40		40	7.03
H₂S	H₂S 70 GPa	Pmc2₁ 26	oP12		12	3.33
O₂Se	β-SeO₂	Pmc2₁ 26	oP12		12	4.32
O₂Se	γ-SeO₂	Pmc2₁ 26	oP24		24	4.33
P₅Tl	TlP₅	Pmc2₁ 26	oP24		24	4.40
Al₆Ca₄O₁₆S	Ca₄Al₆O₁₆S	Pcc2 27	oP108		108	2.60
AlO₄P	Orthorhombic AlPO₄-5	Pcc2 27	oP144		144	1.75
AuTe₂	Krennerite (AuTe₂)	Pma2 28	oP24		24	9.23
NbNiTe₂	NiNbTe₂	Pma2 28	oP16		16	7.54
AlCH₃₀NO₂₀S₂	Low Temperature	Pca2₁ 29	oP220		220	1.62
AsCoS	Cobaltite	Pca2₁ 29	oP12		12	8.14
Bi₂MoO₆	Koechlinite (Room temperature Bi₂MoO₆)	Pca2₁ 29	oP36		36	8.28
C₇H₅N₃O₆	Orthorhombic 2-4-6 Trinitrotoluene (C₇H₅N₃O₆)	Pca2₁ 29	oP168		168	1.70
Cu₅FeS₄	Low Temperature Bornite (Cu₅FeS₄)	Pca2₁ 29	oP160		160	5.15
FeS₂	Low Temperature Pyrite (FeS₂)	Pca2₁ 29	oP12		12	5.01
HgN₆	Mercury	Pca2₁ 29	oP28		28	4.49
O₂Zr	ZrO₂	Pca2₁ 29	oP12		12	6.05
Bi₅ClO₁₄PbTi₃	Room Temperature Bi₅PbTi₃O₁₄Cl	Pnc2 30	oP48		48	8.18
Bi₅O₁₅Nb₃	Bi₅Nb₃O₁₅	Pnc2 30	oP46		46	8.27
BrCuSe₃	Pnc2 CuBrSe₃	Pnc2 30	oP20		20	5.13
Al₁₃Co₄	Orthorhombic Co₄Al₁₃ Structure	Pmn2₁ 31	oP102		102	4.02
AsCu₃S₄	Enargite (AsCu₃S₄, H2₅)	Pmn2₁ 31	oP16	H25	16	4.41
AsCuPbS₃	Seligmannite	Pmn2₁ 31	oP24		24	5.45
B₄O₇Sr	B₄SrO₇	Pmn2₁ 31	oP24		24	4.02
BaBe₂O₇Si₂	Clinobarylite	Pmn2₁ 31	oP24		24	4.01
Br₃CH₆NPb	High Pressure Phase III CH₃NH₃PbBr₃	Pmn2₁ 31	mP138		144	4.41
Ca₂(H₂O)₆MgO₈	Mg	Pmn2₁ 31	oP34	H411	34	1.44
CrHO₂	Guyanaite	Pmn2₁ 31	oP8		8	4.57
IrNbTe₄	NbIrTe₄	Pmn2₁ 31	oP24		24	8.59
Li₃O₄P	β-Li₃PO₄	Pmn2₁ 31	oP16		16	2.45
O₅V₂	Shcherbinaite	Pmn2₁ 31	oP14	D87	14	3.40
Te₂W	WTe₂	Pmn2₁ 31	oP12		12	9.44
Gd₂Mo₃O₁₂	β'-Gd₂	Pba2 32	oP68		68	4.56
Mo₁₇O₄₇	Mo₁₇O₄₇	Pba2 32	oP128		128	4.72
O₁₃Re₂S₂	Re₂O₅	Pba2 32	oP34		34	4.46
Al₂O₃	κ alumina (Al₂O₃)	Pna2₁ 33	oP40		40	3.75
AlCl₄Cu	β-CuAlCl₄	Pna2₁ 33	oP24		24	2.57
AsK₃S₄	AsK₃S₄	Pna2₁ 33	oP32		32	2.38
B₂CaO₄	CaB₂O₄	Pna2₁ 33	oP84		84	3.09
B₄CsFO₆	CsB₄O₆F	Pna2₁ 33	oP48		48	3.21
Ca₂O₄Si	α_L'-Ca₂SiO₄	Pna2₁ 33	oP84		84	3.15
GaLiO₂	LiGaO₂	Pna2₁ 33	oP16		16	4.19
Gd₂O₇Si₂	Possible δ-Gd₂Si₂O₇	Pna2₁ 33	oP44		44	5.47
H₂LiO₅PZn	LiZnPO₄cdotH₂O	Pna2₁ 33	oP40		40	2.89
ILiO₃	γ-LiIO₃	Pna2₁ 33	oP20		20	4.13
LiO₄PZn	δ₁-LiZnPO₄	Pna2₁ 33	oP28		28	3.35
NaFeO₂	β-NaFeO₂	Pna2₁ 33	oP16		16	3.38
O₂Sb	Cervantite	Pna2₁ 33	oP24		24	6.60
AgK₂S₄Sb	K₂AgSbS₄	Pnn2 34	oP32		32	3.35
Al₂Br₈Ti	TiAl₂Br₈	Pnn2 34	oP22		22	3.53
F₁₋ₓHₓMnOₓ	MnF_1-x	Pnn2 34	oP10		10	3.68
FeSb₂	FeSb₂	Pnn2 34	oP6		6	8.15
MoO₈V₂	V₂MoO₈	Cmm2 35	oC22		22	3.73
B₂O₃	Orthorhombic B₂O₃	Cmc2₁ 36	oC20		20	3.11
BaBi₄O₁₅Ti₄	Low Temperature BaBi₄Ti₄O₁₅	Cmc2₁ 36	oC96		96	7.47
BaF₄Zn	BaZnF₄	Cmc2₁ 36	oC24		24	5.19
Be₄Si₂O₇(OH)₂	Bertrandite (Be₄Si₂O₇(OH)₂, S4₆)	Cmc2₁ 36	oC60	S46	60	2.58
Bi₂GeO₅	Bi₂GeO₅	Cmc2₁ 36	oC32		32	8.17
BiPd	β-BiPd	Cmc2₁ 36	oC32		32	12.53
Br₂Hg	HgBr₂	Cmc2₁ 36	oC12	C24	12	6.13
Ca₃O₇Ti₂	Ca₃Ti₂O₇	Cmc2₁ 36	oC48		48	3.80
ClH	Low Temperature HCl	Cmc2₁ 36	oC8		8	1.41
CuH₂O₂	Spertiniite [Cu	Cmc2₁ 36	oC20		20	3.95
F₃NaO₈P₂V₂	Uncharged NaV₂	Cmc2₁ 36	oC64		64	2.91
I₄Nb	α-NiI₄	Cmc2₁ 36	oC40		40	5.64
K₂S₃	K₂S₃	Cmc2₁ 36	oC20		20	2.14
KNO₃	α-Potassium Nitrate (KNO₃) Structure II: ABC3_oC80_36_2ab_2ab_2a5b-001	Cmc2₁ 36	oC80		80	2.10
MoP₂	MoP₂	Cmc2₁ 36	oC12		12	5.98
N₂OSi₂	Si₂N₂O	Cmc2₁ 36	oC20		20	2.84
Ni₃Si₂	Ni₃Si₂	Cmc2₁ 36	oC80		80	6.75
Bi₂Ca₂Cu₃O₁₀Sr₂	Bi₂Sr₂Ca₂Cu₃O_10+x	Ccc2 37	oC76		76	6.27
Li₂O₅Si₂	Li₂Si₂O₅	Ccc2 37	oC36		36	2.47
Au₂V	Au₂V	Amm2 38	oC12		12	15.46
BaO₃Ti	Orthorhombic BaTiO₃	Amm2 38	oC10		10	6.03
C₂CeNi	C₂CeNi	Amm2 38	oC8		8	6.81
FNaNb₆O₁₅	NaNb₆O₁₅F	Amm2 38	oC46		46	4.71
GdSn₃	GdSn₃	Amm2 38	oC16		16	8.05
O₇SiU	Weeksite	Amm2 38	oC36		36	2.79
Ta₃Ti₁₃	Ta₃Ti₁₃ (BCC SQS-16)	Amm2 38	oC32		32	6.91
Ta₃Ti₅	Ta₃Ti₅ (BCC SQS-16)	Amm2 38	oC32		32	9.28
Bi₂O₅Te	Smirnite	Aem2 39	oC64		64	7.88
Cl₉PV	VPCl₉	Aem2 39	oC44		44	2.23
Ge₂Li₂O₅	Li₂	Aem2 39	oC36		36	3.57
S₂Ta₃	Ta₃S₂	Aem2 39	oC40		40	11.17
Al₂O₄Pb	Al₂PbO₄	Ama2 40	oC28		28	5.45
CdK₂Pb	K₂CdPb	Ama2 40	oC16		16	4.34
CeTe₃	CeTe₃	Ama2 40	oC16		16	6.97
CrO₃	Orthorhombic CrO₃	Ama2 40	oC16		16	2.73
Mo₂O₇Rb₂	Rb₂Mo₂O₇	Ama2 40	oC88		88	4.04
B₅H₈KO₁₂	Santite	Aea2 41	oC104	K35	104	1.74
Bi₄O₁₂Ti₃	Orthorhombic Bi₄Ti₃O₁₂ m = 3 Aurivillius Structure	Aea2 41	oC76		76	8.04
PdSn₂	PdSn₂ (C_e)	Aea2 41	oC24	Ce	24	8.96
PtSn₄	PtSn₄ (D1_c)	Aea2 41	oC20	D1c	20	9.55
Bi₇Fe₃O₂₁	Bi₇	Fmm2 42	oF136		136	8.20
BN	BN (High-pressure, high-temperature)	Fmm2 42	oF8		8	4.54
O₁₀W₃	W₃O₁₀	Fmm2 42	oF52		52	6.42
Ag₂O₃	Ag₂O₃	Fdd2 43	oF40		40	7.08
Al₂₂Mo₅	Al₂₂Mo₅	Fdd2 43	oF216		216	4.27
Al₂H₄O₁₂Si₃	Natrolite	Fdd2 43	oF184	S610	184	2.25
Al₃Zr₂	Zr₂Al₃	Fdd2 43	oF40		40	4.71
Cs₂Se	Cs₂Se	Fdd2 43	oF24		24	3.49
Cu₂O₇V₂	Blossite	Fdd2 43	oF88		88	4.06
GeS₂	GeS₂ (C44)	Fdd2 43	oF72	C44	72	3.05
H₂KO₄P	Archerite	Fdd2 43	oF64		64	2.38
AgNO₂	AgNO₂ (F5₁₂)	Imm2 44	oI8	F512	8	4.53
AsGa	High-pressure GaAs	Imm2 44	oI4		4	7.74
H₂O₁₀Si₂Zn₄	Hemimorphite	Imm2 44	oI40	S22	40	3.48
MgZn	B30 (MgZn?) Structure ( Problematic ): AB_oI48_44_6c_abc2de-001	Imm2 44	oI48	B30	48	3.67
NaNO₂	Ferroelectric NaNO₂ (F5₅)	Imm2 44	oI8	F55	8	2.15
Ca₁₁InSb₉	Ca₁₁InSb₉	Iba2 45	oI84		84	4.38
Ga₂MnSb₂	MnGa₂Sb₂	Iba2 45	oI20		20	7.05
H₂LiN	β-LiNH₂	Iba2 45	oI32		32	1.60
AgC₄N₃	Room Temperature AgC₄N₃	Ima2 46	oI32		32	2.61
AgC₄N₃	Low Temperature AgC₄N₃	Ima2 46	oI32		32	2.66
AlCa₂FeO₅	Brownmillerite	Ima2 46	oI36		36	3.67
AlO₄P	Ordered Calcined AlPO₄-11	Ima2 46	oI120		120	1.93
CuN₈	CuN₈	Ima2 46	oI36		36	2.62
FeSiTi	TiFeSi	Ima2 46	oI36		36	5.51
Nb₂O₁₇Zr₆	Nb₂Zr₆O₁₇	Ima2 46	oI100		100	6.28
AuMn	AuMn	Pmmm 47	oP2		2	12.81
Ba₂Cu₃O_7-xY	1212C [YBa₂Cu₃O_7-x] High-T_c	Pmmm 47	oP13		13	6.39
BaFe₂O₅Y	Class-II MV YBaFe₂O₅	Pmmm 47	oP9		9	5.96
Ga₅Gd₂Ni₃	Gd₂Ni₃Ga₅	Pnnn 48	oP80		80	8.29
Mo₂O₈PrRb	α-RbPr[MoO₄]₂	Pnnn 48	oP24		24	4.75
CsMo₂O₈Pr	CsPr	Pccm 49	oP24		24	4.86
H₃V₄	δ-V₄D₃	Pccm 49	oP14		14	—
O₅Ta₂	β-Ta₂O₅	Pccm 49	oP14		14	8.24
La₂NiO₄	Orthorhombic La₂NiO₄	Pban 50	oP28		28	7.01
O₃TeTl₂	α-Tl₂TeO₃	Pban 50	oP48		48	8.02
AuCd	β'-AuCd (B19)	Pmma 51	oP4	B19	4	14.14
BaFe₂O₅Y	Class-I MV YBaFe₂O₅	Pmma 51	oP18		18	5.98
BCU₂	α-UB₂C	Pmma 51	oP8		8	10.35
Bi₂Ni₃S₂	Parkerite	Pmma 51	oP8		8	9.24
BiCu	High-Pressure CuBi	Pmma 51	oP8		8	10.40
BiPd₃	α-BiPd₃	Pmma 51	oP16		16	13.13
Cl₂Hg₃S₂	Kenhsuite	Pmma 51	oP16		16	8.74
FLiNb₆O₁₅	LiNb₆O₁₅F	Pmma 51	oP46		46	4.67
RhTa	TaRh	Pmma 51	oP12		12	15.60
Bi₃Sr₂	Sr₂Bi₃	Pnna 52	oP20		20	7.60
Cl₂Ga	High-Pressure GaCl₂	Pnna 52	oP24		24	2.79
Cl₃H₁₂KMgO₆	Carnallite [Mg	Pnna 52	oP276		276	1.60
O₄SnW	α-SnWO₄	Pnna 52	oP24		24	7.43
BrCuSe₃	Pmna CuBrSe₃	Pmna 53	oP20		20	5.09
Cl₂CuH₄O₂	Eriochalcite	Pmna 53	oP18	C45	18	2.52
F₂H₅N	NH₄HF₂	Pmna 53	oP16	F58	16	1.38
NiTaTe₂	TaNiTe₂	Pmna 53	oP16		16	9.24
AgClO₂	AgClO₂	Pcca 54	oP16		16	4.69
BiGaO₃	BiGaO₃	Pcca 54	oP20		20	8.17
MoO₅U	UMoO₅	Pcca 54	oP28		28	7.12
As₂Ge	GeAs₂	Pbam 55	oP24		24	5.29
B₂C₂Sc	ScB₂C₂	Pbam 55	oP20		20	3.35
B₄CrY	YCrB₄	Pbam 55	oP24		24	5.16
B₈Ru₁₁	Ru₁₁B₈	Pbam 55	oP38		38	10.66
BFeMg₂O₅	Ludwigite	Pbam 55	oP36		36	3.78
Bi₂Fe₄O₉	Ambient pressure Bi₂Fe₄O₉	Pbam 55	oP30		30	6.46
C	R-carbon	Pbam 55	oP16		16	3.44
Ca₅Ga₂As₆	Ca₅Ga₂As₆	Pbam 55	oP26		26	4.22
Cl₄(H₂O)HgK₂	K₂HgCl₄cdotH₂O	Pbam 55	oP32	E34	32	3.26
Ge₃Rh₅	Rh₅Ge₃	Pbam 55	oP16		16	10.98
HoMn₂O₅	HoMn₂O₅	Pbam 55	oP32		32	6.63
Nb₂Pd₃Se₈	Nb₂Pd₃Se₈	Pbam 55	oP26		26	6.68
Nb₈P₅	Nb₈P₅	Pbam 55	oP54		54	7.30
O₄Pb₃	Possible Phase III Pb₃O₄	Pbam 55	oP14		14	11.33
O₄Pb₃	Minium-R	Pbam 55	oP28		28	8.98
O₄PbSb₂	Sb₂PbO₄	Pbam 55	oP14		14	6.82
SiTa₄Te₄	Ta₄SiTe₄	Pbam 55	oP36		36	9.07
B₂CaO₄	Calciborite	Pccn 56	oP56		56	2.88
H₂LiN	β-LiNH₂	Pccn 56	oP32		32	1.63
O₃Sb₂	Valentinite	Pccn 56	oP20	D511	20	5.84
O₄SnSr₂	Low-temperature Sr₂SnO₄	Pccn 56	oP28		28	5.78
AgEuO₄Ti	AgEuTiO₄	Pbcm 57	oP28		28	6.90
Al₃Ca₄Mg	Ca₄Al₃Mg	Pbcm 57	oP32		32	2.00
AlDy	DyAl	Pbcm 57	oP16		16	6.79
CKNS	KNCS	Pbcm 57	oP16	F59	16	1.89
ClCu₄O₆V	Coparsite [α-Cu₄O₂	Pbcm 57	oP48		48	4.58
FTl	TlF-II	Pbcm 57	oP8		8	8.56
Hg₇K₅	Hg₇Hg₅	Pbcm 57	oP48		48	6.51
NaNbO₃	NaNbO₃ Pbcm Lueshite Perovskite	Pbcm 57	oP40		40	4.58
O₃W	D0₁₀	Pbcm 57	oP16	D010	16	7.61
O₄SrU	SrUO₄	Pbcm 57	oP24		24	7.27
Rh₂Si₂Y₃	Y₃Rh₂Si₂	Pbcm 57	oP28		28	6.27
STa₂	Ta₂S	Pbcm 57	oP36		36	12.56
Al₂O₅Si	Andalusite	Pnnm 58	oP32	S02	32	3.22
AlH₃	γ-Alane (AlH₃)	Pnnm 58	oP24		24	1.31
AsHO₅Zn₂	Adamite [Zn₂	Pnnm 58	oP36	H27	36	4.45
B₂Mg₃O₆	Kotoite	Pnnm 58	oP22		22	3.10
B₄Cr	CrB₄	Pnnm 58	oP10		10	4.25
CaCl₂	Hydrophilite (CaCl₂, C35)	Pnnm 58	oP6	C35	6	2.19
Cl₂Pd	α-PdCl₂	Pnnm 58	oP6	C50	6	4.30
F₃Na₃O₈P₂V₂	Na₃V₂	Pnnm 58	oP72		72	2.97
Fe₂C	η-Fe₂C	Pnnm 58	oP6		6	7.15
FeS₂	Marcasite (FeS₂, C18)	Pnnm 58	oP6	C18	6	4.88
H₂Mg₇O₂₄Si₈	Protoanthophyllite	Pnnm 58	oP82		82	2.91
In₂P₄Sr₃	Sr₃In₂P₄	Pnnm 58	oP18		18	4.28
In₄Se₃	In₄Se₃	Pnnm 58	oP28		28	6.02
InS	InS	Pnnm 58	oP8		8	5.24
PTa₂	Ta₂P	Pnnm 58	oP36		36	13.86
S	S₁₂ Sulfur	Pnnm 58	oP24		24	2.04
AlF₄Rb	RbAlF₄ III	Pmmn 59	oP24		24	3.86
AuCuZr₂	θ-Zr₂CuAu	Pmmn 59	oP8		8	6.31
B₂Ru	RuB₂	Pmmn 59	oP6		6	7.57
CClN	CNCl	Pmmn 59	oP6		6	1.57
ClFeO	FeOCl	Pmmn 59	oP6	E05	6	3.62
Cu₃Ti	β-TiCu₃	Pmmn 59	oP8	D0a	8	7.79
CuTe	Vulcanite (CuTe)	Pmmn 59	oP4		4	7.09
FeLiO₂	Orthorhombic LiFeO₂	Pmmn 59	oP8		8	4.34
H₄N₂O₃	NH₄NO₃ IV	Pmmn 59	oP18	G011	18	1.72
NbPd₃	β-NbPd₃	Pmmn 59	oP24		24	11.36
O₅V₂	Shcherbinaite	Pmmn 59	oP14		14	3.37
B₂CaO₄	E3₂	Pbcn 60	oP28	E32	28	2.70
C₇H₈	β-Toluene	Pbcn 60	oP120		120	1.05
Cr₅O₁₂	Cr₅O₁₂	Pbcn 60	oP68		68	3.71
Fe₂N	ζ-Fe₂N	Pbcn 60	oP12		12	7.01
FeNa₂O₅Sb	Na₂FeSbO₅	Pbcn 60	oP72		72	4.42
FeNb₂O₆	Columbite	Pbcn 60	oP36	E51	36	5.43
Ge₃Ru₂	Ru₂Ge₃ Nowotny Chimney-Ladder	Pbcn 60	oP40		40	9.24
Li₃PS₄	α-Li₃PS₄	Pbcn 60	oP28		28	1.76
O₂Pb	α-PbO₂	Pbcn 60	oP12		12	9.79
O₃W	β-WO₃	Pbcn 60	oP32		32	7.15
Rh₂O₃	Rh₂O₃	Pbcn 60	oP20		20	6.45
AgCuO₄P	β-AgCuPO₄	Pbca 61	oP56		56	5.25
AgF₂	AgF₂	Pbca 61	oP12		12	5.94
AlH₄O{6}P₄	Variscite 10 [AlPO₄cdot	Pbca 61	oP96		96	2.59
AlO₄P	Calcined AlPO₄-53	Pbca 61	oP144		144	2.01
As₂Ni	Pararammelsbergite	Pbca 61	oP24		24	7.28
AsS₃Tl₃	Tl₃AsS₃	Pbca 61	oP56		56	6.93
AuSn₂	AuSn₂	Pbca 61	oP24		24	10.13
BBe₂HO₄	Hambergite [Be₂BO₃	Pbca 61	oP64	G72	64	2.36
BiErGeO₅	BiErGeO₅	Pbca 61	oP64		64	7.92
C₆H₆	Benzene	Pbca 61	oP48		48	1.05
Ca₂O₄Ru	Ca₂RuO₄	Pbca 61	oP28		28	4.58
Ca₄O₁₀Ti₃	Ca₄Ti₃O₁₀	Pbca 61	oP68		68	3.86
CClO	COCl	Pbca 61	oP24		24	1.80
CdSb	CdSb (B_e)	Pbca 61	oP16	Be	16	6.83
CH₄N₂O₂	O-Carbamoylhydroxylamine (CH₄N₂O₂)	Pbca 61	oP72		72	1.54
Cl₇OPTi		Pbca 61	oP80		80	2.13
ClO₂	ClO₂	Pbca 61	oP24		24	2.27
CN	Cyanogen [(CN)₂]	Pbca 61	oP16		16	1.25
Cu₅FeS₄	Room Temperature Bornite (Cu₅FeS₄)	Pbca 61	oP160		160	5.08
CuI₇Mo₃	CuMo₃I₇	Pbca 61	oP88		88	5.68
HgO₂	β-HgO₂	Pbca 61	oP12		12	8.81
MgO₃Si	Enstatite	Pbca 61	oP80	S43	80	3.18
O₂Te	Tellurite	Pbca 61	oP24	C52	24	5.75
O₂Ti	Brookite	Pbca 61	oP24	C21	24	4.13
O₉P₂SrVZn	SrZn	Pbca 61	oP112		112	3.81
P₄Re	ReP₄	Pbca 61	oP40		40	6.60
PdSe₂	PdSe₂	Pbca 61	oP12		12	6.78
Ag₂CrO₄	Ag₂CrO₄	Pnma 62	oP28		28	5.62
AgC₈H₄N₅	Ag	Pnma 62	oP72		72	2.01
AgMnVO₄	AgMnVO₄	Pnma 62	oP28		28	5.32
AgTe	Empressite (AgTe)	Pnma 62	oP32		32	7.59
Al₂Au₃Sr	SrAu₃Al₂	Pnma 62	oP24		24	9.84
Al₂F₂O₄Si	Topaz	Pnma 62	oP36	S05	36	3.56
Al₂O₅Si	Sillimanite	Pnma 62	oP32	S03	32	3.32
Al₃Mn	Al₃Mn	Pnma 62	oP156		156	4.00
Al₃Ni	ε-Al₃Ni (D0₂₀)	Pnma 62	oP16	D020	16	3.98
AlBa₅Ir₂O₁₁	Ba₅AlIr₂O₁₁	Pnma 62	oP76		76	6.99
AlHO₂	Diaspore	Pnma 62	oP16	E02	16	3.38
AsCo	Modderite	Pnma 62	oP8		8	8.22
AsCuS	Lautite	Pnma 62	oP12		12	4.88
AsFe	Westerveldite	Pnma 62	oP8	B14	8	7.94
Au₄Zr	Au₄Zr	Pnma 62	oP20		20	16.90
B₂CaO₈Si₂	Danburite	Pnma 62	oP52	S63	52	3.00
B₃Ni₄	Orthorhombic Ni₄B₃	Pnma 62	oP28		28	7.58
B₄Mg	MgB₄	Pnma 62	oP20		20	2.48
Ba₅IrO₁₂Ru₂	Ba₅	Pnma 62	oP80		80	6.67
BaCuO₅Sm₂	BaCuSm₂O₅	Pnma 62	oP36		36	7.44
BaMn₂O₆Sm	Room Temperature SmBaMn₂O₆	Pnma 62	oP80		80	7.01
BaO₄S	Barite	Pnma 62	oP24	H02	24	4.47
BCoFeO₄	Warwickite	Pnma 62	oP28		28	4.64
BeHNaO₈Si₃	Epididymite (BeHNaO₈Si₃, S4₇)	Pnma 62	oP112	S47	112	2.56
BFe	FeB	Pnma 62	oP8	B27	8	6.75
BH₄Li	Low-temperature LiBH₄ structure: AB4C_oP24_62_c_2cd_c-002	Pnma 62	oP24		24	0.67
BHO₂	α-HBO₂	Pnma 62	oP48		48	1.83
Bi₂Fe₄O₉	High pressure Bi₂Fe₄O₉	Pnma 62	oP60		60	7.14
Bi₂PbS₄	Galenobismutite	Pnma 62	oP28		28	7.14
Bi₃Ni	NiBi₃	Pnma 62	oP16		16	10.88
BiCl₂CuSe	CuBiSeCl₂	Pnma 62	oP20		20	6.08
BiFeS₄Sb	Garavellite	Pnma 62	oP28		28	5.63
Br₂Sr	C53	Pnma 62	oP12	C53	12	3.64
Br₃CH₆NPb	Low Temperature Orthorhombic CH₃NH₃PbBr₃	Pnma 62	oP48		48	3.95
BrClI(NH₄)	NH₄ClBrI	Pnma 62	oP16	F514	16	3.29
C₂Cr₃	Tongbaite	Pnma 62	oP20	D510	20	6.66
C₂MoU	UMoC₂	Pnma 62	oP16		16	11.85
C₃Cr₇	C₃Cr₇ (D10₁)	Pnma 62	oP40	D101	40	6.90
C₈H₄K₄MoN₈O₂	K₄[Mo	Pnma 62	oP108	F21	108	3.35
Ca₂Fe₂O₅	Brownmillerite (Srebrodolskite) Brownmillerite (Ca₂Fe₂O₅)	Pnma 62	oP36		36	4.03
Ca₂O₄Si	α_H'-Ca₂SiO₄	Pnma 62	oP52		52	5.71
CaCO₃	Aragonite (G0₂, CaCO₃)	Pnma 62	oP20	G02	20	2.93
CaH₂₂O₂₃P₂U₂	Autunite {Ca[	Pnma 62	oP200		200	3.17
CaMgO₄Si	Monticellite	Pnma 62	oP28		28	3.04
CaMnSb₂	CaMnSb₂	Pnma 62	oP16		16	5.44
CaO₃Ti	CaTiO₃ Pnma Perovskite	Pnma 62	oP20		20	4.03
CaO₄Ta₂	Rynersonite	Pnma 62	oP36		36	7.40
CCaO₃	Monoclinic Vaterite	Pnma 62	oP20		20	2.65
CdCl₃(NH₄)		Pnma 62	oP20	E24	20	2.92
CdLi₂O₄Si	Li₂CdSiO₄	Pnma 62	oP32		32	4.08
CdP₁₄Sn	CdSnP₁₄	Pnma 62	oP64		64	3.25
CFe₃	Cementite	Pnma 62	oP16	D011	16	7.68
Cl₂Hg	HgCl₂	Pnma 62	oP12	C25	12	5.49
Cl₂Pb	Cotunnite	Pnma 62	oP12	C23	12	5.91
Cl₃CuK₂	K₂CuCl₃	Pnma 62	oP24		24	2.60
Cl₃H₁₅N₅Rh	RhCl₂	Pnma 62	oP96	J18	96	2.08
Cl₄(H₂O)K₂Sn	E3₅	Pnma 62	oP32	E35	32	2.49
Cl₄(H₂O)K₂Sn	K₂SnCl₄cdotH₂O	Pnma 62	oP32		32	2.49
Cl₄Cs₂Cu	Cs₂CuCl₄	Pnma 62	oP28		28	3.44
Cl₄H₂K₂OSn	K₂SnCl₄cdotH₂O	Pnma 62	oP40		40	2.68
Cl₈OPSb	SbCl₅cdotPOCl₃	Pnma 62	oP44		44	2.54
ClCu₂H₂O₃	Atacamite	Pnma 62	oP36		36	3.76
ClF₃	Orthorhombic ClF₃	Pnma 62	oP16		16	2.53
Co₂Si	Co₂Si (C37)	Pnma 62	oP12	C37	12	7.42
Co₂TaTe₂	TaCo₂Te₂	Pnma 62	oP40		40	9.52
Cs₂Sb	Cs₂Sb	Pnma 62	oP24		24	4.64
Cu₂NaO₂	NaCu₂O₂	Pnma 62	oP20		20	5.11
Cu₃H₄O₁₀STe	Approximate Cu₃	Pnma 62	oP64		64	4.48
CuFe₂S₃	Cubanite (CuFe₂S₃, E9_e)	Pnma 62	oP24	E9e	24	4.02
CuMnP	MnCuP	Pnma 62	oP12		12	5.95
CuN₆	Copper	Pnma 62	oP28		28	2.60
CuO₄S	Chalcocyanite	Pnma 62	oP24		24	3.89
CuS₂Sb	Chalcostibite	Pnma 62	oP16	F56	16	5.00
CuS₃Ta	CuTaS₃	Pnma 62	oP20		20	5.82
CuSe₃SrY	SrCuYSe₃	Pnma 62	oP24		24	5.37
Er₂F₇K	β-KEr₂F₇	Pnma 62	oP80		80	5.46
Eu₃O₄	Eu₃O₄	Pnma 62	oP28		28	8.11
F₂Mg₃O₄Si	Norbergite [Mg	Pnma 62	oP40	S07	40	3.19
Fe₂Mg₅O₂₂(OH)₂Si₈	Anthophyllite	Pnma 62	oP156	S44	156	3.17
FeS₄Sb₂	Berthierite	Pnma 62	oP28	E33	28	4.67
Ge₃Pt₂	Pt₂Ge₃	Pnma 62	oP20		20	11.73
Ge₄Sm₅	Sm₅Ge₄	Pnma 62	oP36		36	7.63
GeS	GeS (B16)	Pnma 62	oP8	B16	8	4.27
H₂Sr	SrH₂	Pnma 62	oP12	C29	12	3.31
I₃(NH₄)	NH₄I₃	Pnma 62	oP16	D016	16	3.78
IrSe₂	IrSe₂	Pnma 62	oP24		24	9.99
K₂O₄S	Arcanite	Pnma 62	oP28	H16	28	2.67
K₂O₆S₃	K₂S₃O₆	Pnma 62	oP44	K51	44	2.33
K₂Te₃	K₂Te₃	Pnma 62	oP20		20	4.06
KNO₃	α-Potassium Nitrate (KNO₃) Structure I: ABC3_oP20_62_c_c_cd-001	Pnma 62	oP20		20	2.11
Li₃PS₄	β-Li₃PS₄	Pnma 62	oP36		36	1.93
Mg₂O₄Si	Forsterite	Pnma 62	oP28	S12	28	3.23
MnP	MnP (B31)	Pnma 62	oP8	B31	8	5.80
Mo₄P₃	Mo₄P₃	Pnma 62	oP56		56	7.89
MoO₃	Molybdite (MoO₃, D0₈)	Pnma 62	oP16	D08	16	4.71
N(NH₄)O₃	NH₄NO₃ III	Pnma 62	oP20	G010	20	1.58
Na	High-Pressure oP8 Sodium	Pnma 62	oP8		8	4.04
Ni₂TaTe₂	TaNi₂Te₂	Pnma 62	oP20		20	9.34
Ni₃Ta₂Te₅	Ta₂Ni₃Te₅	Pnma 62	oP40		40	8.58
NiSi	η-NiSi (B_d)	Pnma 62	oP8	Bd	8	5.93
NiTh	ThNi	Pnma 62	oP16		16	11.17
Np	α-Np (A_c)	Pnma 62	oP8	Ac	8	20.47
O₂SrZn	SrZnO₂: A2BC_oP16_62_2c_c_c-004	Pnma 62	oP16		16	5.52
O₃W	Original β-WO₃ Structure	Pnma 62	oP32		32	7.15
O₅SV	VOSO₄	Pnma 62	oP28		28	3.31
O₆PbV₂	PbV₂O₆	Pnma 62	oP36		36	5.88
O₇Si₂Y₂	Possible δ-Y₂Si₂O₇	Pnma 62	oP44		44	4.12
P₃Rh₄	Rh₄P₃	Pnma 62	oP28		28	8.67
P₄Se₃	P₄Se₃	Pnma 62	oP112		112	3.18
S₃Sb₅	Stibnite	Pnma 62	oP20	D58	20	4.65
S₃Sn₂	Ottemannite	Pnma 62	oP20		20	4.75
SrZn₅	SrZn₅	Pnma 62	oP24		24	5.86
SSn	α-SnS	Pnma 62	oP8	B29	8	5.20
Ag₇Ca₂	Ag₇Ca₂	Cmcm 63	oC36		36	7.52
Al₂CuMg	MgCuAl₂	Cmcm 63	oC16	E1a	16	3.56
Al₄FeO₁₀(OH)₂Si	S0₄	Cmcm 63	oC76	S04	76	3.76
Al₄NiY	YNiAl₄	Cmcm 63	oC24		24	3.36
Al₅Fe₂	η-Fe₂Al₅	Cmcm 63	oC24		24	6.12
Al₆Mn	MnAl₆	Cmcm 63	oC28	D2h	28	3.31
AlBMo	MoAlB	Cmcm 63	oC12		12	6.45
AlF₃	β-AlF₃	Cmcm 63	oC48		48	2.82
AlF₅Tl₂	Refined Tl₂AlF₅	Cmcm 63	oC32		32	5.70
AlO₄P	AlPO₄-8	Cmcm 63	oC216		216	1.72
As₃Nb₄	Nb₄As₃	Cmcm 63	oC56		56	8.16
AsCV₃	V₃AsC	Cmcm 63	oC20		20	6.52
AsMn₃	Mn₃As	Cmcm 63	oC16		16	6.83
BaF₄Mg	High-Pressure BaMgF₄	Cmcm 63	oC24		24	5.00
BaZn₅	BaZn₅	Cmcm 63	oC24		24	6.40
BCr	CrB	Cmcm 63	oC8	B33	8	6.07
BCU	UBC	Cmcm 63	oC12		12	12.04
Bi₄O₁₁V₂	β-Bi₄V₂O₁₁	Cmcm 63	oC76		76	8.05
Br₂Cu₂O₆PbSe₂	Cu₂Pb	Cmcm 63	oC52		52	5.43
BRe₃	Re₃B	Cmcm 63	oC16		16	19.36
Ca₂LaMn₂O₇	LaCa₂Mn₂O₇	Cmcm 63	oC48		48	5.16
CaFe₃O₅	CaFe₃O₅	Cmcm 63	oC36		36	5.00
CaFe₄O₆	CaFe₄O₆	Cmcm 63	oC44		44	5.12
CaFe₅O₇	CaFe₅O₇	Cmcm 63	oC52		52	5.20
CaO₄Si	Anhydrite	Cmcm 63	oC24	H01	24	2.96
CFe₂SiTh	ThFe₂SiC	Cmcm 63	oC20		20	8.79
Cl₂O₅Pb₃W	Pinalite	Cmcm 63	oC44		44	7.82
Co₃Ga₉Y₂	Y₂Ga₉Co₃	Cmcm 63	oC56		56	7.37
CrNa₂O₄	Na₂CrO₄	Cmcm 63	oC28	H18	28	2.74
Cu₃Ge₄K₂O₁₂	K₂Cu₃Ge₄O₁₂	Cmcm 63	oC84		84	4.42
CuKS₃Zr	KCuZrS₃	Cmcm 63	oC24		24	3.81
CuO₂Sr	SrCuO₂	Cmcm 63	oC16		16	5.31
F₃Na₃O₈P₂V₂	Na₃V₂	Cmcm 63	oC80		80	3.51
Fe₂KS₃	Rasvumite	Cmcm 63	oC24		24	3.03
Fe₂O₅Ti	Pseudobrookite	Cmcm 63	oC32	E41	32	4.36
FeHO₂	Lepidocrocite [γ-FeO	Cmcm 63	oC20	E04	20	4.00
FeLiO₄P	β'-LiFePO₄	Cmcm 63	oC28		28	3.73
Ga₃PdSr	SrPdGa₃	Cmcm 63	oC20		20	6.63
HgNa	NaHg	Cmcm 63	oC16		16	7.35
La₃NbO₇	La₃NbO₇	Cmcm 63	oC44		44	6.25
La₄₃Mg₅Ni₁₇	La₄₃Ni₁₇Mg₅	Cmcm 63	oC260		260	6.27
MgO₃Si	Post-perovskite	Cmcm 63	oC20		20	5.54
MgO₄S	MgSO₄	Cmcm 63	oC24		24	3.18
Na₂O₄S	Na₂SO₄	Cmcm 63	oC28		28	2.69
NaNbO₃	NaNbO₃ Cmcm Lueshite Perovskite	Cmcm 63	oC40		40	4.47
Nb₁₂O₂₉	Orthorhombic Nb₁₂O₂₉	Cmcm 63	oC164		164	4.57
NbNiTe₅	NbNiTe₅	Cmcm 63	oC28		28	7.26
Nd₂Te₅	Nd₂Te₅	Cmcm 63	oC28		28	7.18
NdTe₃	NdTe₃	Cmcm 63	oC16		16	7.17
Ni₇S₆	α-Ni₇S₆	Cmcm 63	oC56		56	7.61
NiS₅Ta₂	Ta₂NiS₅	Cmcm 63	oC32		32	6.16
O₇SnSr₃	Sr₃SnO₇	Cmcm 63	oC48		48	6.00
Pd₅Pu₃	Pd₅Pu₃	Cmcm 63	oC32		32	12.98
Re₂U	URe₂	Cmcm 63	oC24		24	18.64
Si₂₄	Si₂₄ Clathrate	Cmcm 63	oC24		24	2.17
Si₂Zr	ZrSi₂	Cmcm 63	oC12	C49	12	4.86
Sn₄Sr	SrSn₄	Cmcm 63	oC20		20	6.60
SSn	β-SnS	Cmcm 63	oC8		8	5.05
Te₅Zr	ZrTe₅	Cmcm 63	oC24		24	6.09
U	α-U (A20)	Cmcm 63	oC4	A20	4	19.20
AlLi₃P₂	Experimental Li₃AlP₂	Cmce 64	oC48		48	1.85
Au₃Zn	R₂ Au₃Zn	Cmce 64	oC32		32	16.76
B₂C₂Mg	MgB₂C₂	Cmce 64	oC80		80	2.41
CoGe₂	CoGe₂	Cmce 64	oC24		24	7.77
CoNbTe₂	NbCoTe₂	Cmce 64	oC32		32	7.61
Cs₄F₁₀Mg₃	Cs₄Mg₃F₁₀	Cmce 64	oC68		68	4.33
CuGd₂O₄	Gd₂CuO₄	Cmce 64	oC28		28	8.14
CuLa₂O₄	Base-Centered Orthorhombic La₂CuO₄	Cmce 64	oC28		28	7.07
FeSi₂	Low Temperature FeSi₂	Cmce 64	oC48		48	4.94
Ga	α-Ga (A11)	Cmce 64	oC8	A11	8	5.91
H₂S	H₂S (170 GPa)	Cmce 64	oC24		24	4.59
I	Molecular Iodine (A14)	Cmce 64	oC8	A14	8	5.19
K₂Mo₂NiO₈	K₂Ni	Cmce 64	oC104		104	3.49
KO	KO	Cmce 64	oC16		16	2.40
La₂Ni₃	La₂Ni₃	Cmce 64	oC20		20	7.66
LiNaO₁₅Si₆Zr	Zektzerite	Cmce 64	oC192		192	2.78
Mo₂Na₂O₇	Na₂Mo₂O₇	Cmce 64	oC88		88	3.73
Ni₁₀Zr₇	Zr₇Ni₁₀	Cmce 64	oC68		68	7.76
O₁₀Ru₃Sr₄	Base-centered Orthorhombic Sr₄Ru₃O₁₀	Cmce 64	oC68		68	12.44
O₁₀Ru₃Sr₄	Orthorhombic Sr₄Ru₃O₁₀	Cmce 64	oC68		68	12.44
P	Black Phosphorus (A17)	Cmce 64	oC8	A17	8	2.71
PdSn₃	PdSn₃	Cmce 64	oC32		32	8.55
Sb₂Sm	SmSb₂	Cmce 64	oC24		24	7.83
Ag₃Te₂Tl	Ag₃Te₂Tl	Cmmm 65	oC12		12	7.69
AlB₂Mn₂	Mn₂AlB₂	Cmmm 65	oC10		10	5.63
AlB₆Cr₄	Cr₄AlB₆	Cmmm 65	oC22		22	5.26
B₄MoTh	ThMoB₄	Cmmm 65	oC24		24	9.06
Ba₂Cu₄O₈Y	124 Superconductor	Cmmm 65	oC30		30	6.09
Ba₄Cu₇O₁₅Y₂	247 Superconductor	Cmmm 65	oC58		58	6.35
BaGe₇Ir₂	BaIr₂Ge₇	Cmmm 65	oC96		96	10.06
BaMn₂O₆Sm	High Temperature SmBaMn₂O₆	Cmmm 65	oC40		40	7.00
Bi₃MnRh	RhMnBi₃	Cmmm 65	oC20		20	10.37
CdPt₃	CdPt₃ ( New L1₃)	Cmmm 65	oC8	L13	8	17.60
Cl₂H₆MgN₂	Mg	Cmmm 65	oC26	E13	26	1.73
FNb₃O₇	Nb₃O₇F	Cmmm 65	oC22		22	4.34
Ga₂Zr	Ga₂Zr	Cmmm 65	oC12		12	7.22
Ga₃Pt₅	Ga₃Pt₅	Cmmm 65	oC16		16	16.68
Ge₂Li₇	Li₇Ge₂	Cmmm 65	oC36		36	2.28
Ge₃NiSm	SmNiGe₃	Cmmm 65	oC20		20	7.99
IrV	α-IrV	Cmmm 65	oC8		8	14.32
Li₂O₃Pr	Li₂PrO₃	Cmmm 65	oC12		12	4.56
Sn₇Tb₃	Tb₃Sn₇	Cmmm 65	oC28		28	11.60
Al₂Se₄Sr	SrAl₂Se₄	Cccm 66	oC28		28	4.13
Ba₃S₇Zr₂	Orthorhombic Ba₃Zr₂S₇	Cccm 66	oC48		48	4.29
H₃S	H₃S (60 GPa)	Cccm 66	oC64		64	2.89
HNb	NbD	Cccm 66	oC8		8	—
I₃Th	β-ThI₃	Cccm 66	oC64		64	6.26
IrLi₂O₃	γ-Li₂IrO₃	Cccm 66	oC96		96	7.58
Al₂CuIr	Al₂CuIr	Cmme 67	oC16		16	9.65
AlO₄P	High-Temperature AlPO₄-25	Cmme 67	oC72		72	1.95
CuHoP₂	HoCuP₂	Cmme 67	oC16		16	7.15
FeSe	α-FeSe	Cmme 67	oC8		8	5.78
H₂(NH₄)O₂P	NH₄H₂PO₂	Cmme 67	oC24	F57	24	1.52
OPb	α-PbO	Cmme 67	oC8		8	9.43
RbPaF₆	RbPaF₆ (V)	Cmme 67	oC32		32	5.04
PdSn₄	PdSn₄	Ccce 68	oC20		20	8.20
As₂Rh₂Sr	β-SrRh₂As₂	Fmmm 69	oF20		20	7.52
Bi₃Nb₂O₉	Orthorhombic Bi₃NbTiO₉ m = 2 Aurivillius	Fmmm 69	oF56		56	8.60
Bi₄LaTi₃	LaTi₃Bi₄	Fmmm 69	oF64		64	9.61
Bi₄O₁₂Ti₃	Orthorhombic Bi₄Ti₃O₁₂ m = 3 Aurivillius	Fmmm 69	oF76		76	7.89
CsV₈Sb₁₂	CsV₈Sb₁₂	Fmmm 69	oF84		84	6.94
CuLa₂O₄	Face-Centered Orthorhombic La₂CuO₄	Fmmm 69	oF28		28	7.05
FTl	TlF	Fmmm 69	oF8	B24	8	8.57
La₂O₇Sc₂Sr	SrLa₂Sc₂O₇	Fmmm 69	oF48		48	5.53
La₃Ni₂O₇	Orthorhombic La₃Ni₂O₇	Fmmm 69	oF48		48	7.13
P₃Rb₂	Rb₂P₃	Fmmm 69	oF40		40	2.76
BMn₂	Mn₂B	Fddd 70	oF48	D1f	48	7.19
CuMg₂	Mg₂Cu	Fddd 70	oF48	Cb	48	3.41
Na₂O₃Pt	β-Na₂PtO₃	Fddd 70	oF96		96	7.17
Na₂O₄S	Thenardite [Na₂SO₄	Fddd 70	oF56	H17	56	2.67
Pu	γ-Pu	Fddd 70	oF8		8	17.51
RbSe₂V	RbVSe₂	Fddd 70	oF64		64	4.18
S	α-S (A16)	Fddd 70	oF128	A16	128	2.07
S₃Sc₂	Sc₂S₃	Fddd 70	oF80		80	2.92
Si₂Ti	TiSi₂	Fddd 70	oF24	C54	24	4.07
Al₁₁La₃	La₃Al₁₁	Immm 71	oI28		28	4.02
AlF₆Na₃	High-Temperature Cryolite	Immm 71	oI20		20	2.76
B₂CoW₂	CoW₂B₂	Immm 71	oI10		10	14.51
B₄Ta₃	Ta₃B₄	Immm 71	oI14	D7b	14	13.50
C₄CoSc₃	Sc₃CoC₄	Immm 71	oI16		16	4.51
C₆₀Cs₃	Orthorhombic Fullerene	Immm 71	oI128		128	2.51
CsFeS₂	CsFeS₂ (100K)	Immm 71	oI16		16	3.69
CsO	CsO	Immm 71	oI8		8	4.74
CuLi₂O₂	Li₂CuO₂	Immm 71	oI10		10	3.71
MoPt₂	MoPt₂	Immm 71	oI6		6	17.98
Nb₆Sn₅	Nb₆Sn₅	Immm 71	oI44		44	8.72
NbPS	NbPS	Immm 71	oI12		12	5.37
Te₂U	UTe₂	Immm 71	oI12		12	9.45
Co₃Si₅U₂	U₂Co₃Si₅	Ibam 72	oI40		40	8.79
Ga₂Mg₅	Ga₂Mg₅ (D8_g)	Ibam 72	oI28	D8g	28	3.00
S₂Si	SiS₂	Ibam 72	oI12	C4₂	12	2.05
AgCKO₃	KAg[CO₃]	Ibca 73	oI48		48	3.93
AlLi₃P₂	Predicted Li₃AlP₂	Ibca 73	oI96		96	1.96
Al₄U	Al₄U (D1_b)	Imma 74	oI20	D1b	20	6.08
AlB₁₄Mg	MgAlB₁₄	Imma 74	oI68		68	3.08
AlB₁₄Na	NaAlB₁₄	Imma 74	oI64		64	2.66
AlO₄P	Disordered Calcined AlPO₄-11	Imma 74	oI120		120	1.87
BaO₃Pb	β-BaPbO₃ Perovskite	Imma 74	oI20		20	8.38
Br₃CH₆NPb	Low Temperature Body-Centered Orthorhombic CH₃NH₃PbBr₃	Imma 74	oI192		192	4.80
CeCu₂	CeCu₂	Imma 74	oI12		12	7.63
Cl₂N₂H₆Zn	Zn	Imma 74	oI44	E12	44	2.17
CuLiO₄V	LiCuVO₄	Imma 74	oI28		28	4.28
GdSi₂	GdSi₂	Imma 74	oI12		12	6.43
Hg₂K	KHg₂	Imma 74	oI12		12	7.98
Hg₃I₂S₂	Hg₃S₂I₂	Imma 74	oI56		56	7.04
KNa₂O₁₅Si₆Y	Moskvinite	Imma 74	oI100		100	2.84

Tetragonal (382)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
Al₂F₂(H₂O)Li₆O₁₆P₄	Li₃[AlP₂O₇F	P4 75	tP90		90	3.50
BaCr₂O₁₂Ru₄	Hexagonal Hollandite	P4 75	tP76		76	6.24
C₂LaRh	LaRhC₂	P4₁ 76	tP16		16	7.26
Ca₂O₇P₂	β-Ca₂P₂O₇	P4₁ 76	tP88		88	3.13
Cs₃P₇	Cs₃P₇	P4₁ 76	tP40		40	2.99
B₂H₆MgO₇	Pinnoite	P4₂ 77	tP64		64	2.29
H₂S	H₂S III	P4₂ 77	tP48		48	1.22
H₄N₂O₃	Gwihabaite	P4₂ 77	tP72		72	1.71
As₂O₇Sr₂	Sr₂As₂O₇	P4₃ 78	tP88		88	4.49
CH₃LaO₇S	La	P4₃ 78	tP52		52	3.42
Ag₆Fe₄K₅Te₁₀	K₅Fe₄Ag₆Te₁₀	I4 79	tI50		50	5.44
Sb₂TlZn₂	TlZn₂Sb₂	I4 79	tI20		20	7.05
NbO₂	β-NbO₂	I4₁ 80	tI48		48	5.90
GeSe₂	GeSe₂ (High Pressure)	P4̅ 81	tP12		12	5.35
Al₂CdS₄	CdAl₂S₄	I4̅ 82	tI14	E3	14	3.08
BO₄P	BPO₄	I4̅ 82	tI12	H07	12	2.80
Cu₂S₄SnZn	Kesterite [Cu₂	I4̅ 82	tI16		16	4.56
H₂LiN	α-LiNH₂	I4̅ 82	tI32		32	1.17
InPS₄	InPS₄	I4̅ 82	tI12		12	3.22
Ni₃P	Ni₃P (D0_e)	I4̅ 82	tI32	D03	32	7.73
Au₃₁Mn₉	Au₃₁Mn₉	P4/m 83	tP40		40	17.26
Ga₃Ti₂	Ti₂Ga₃	P4/m 83	tP10		10	6.39
Cu₄Pd	Cu₄Pd	P4₂/m 84	tP20		20	9.63
PdS	Vysotskite (PdS, B34)	P4₂/m 84	tP16	B34	16	6.73
AlH₃	Provisional δ-Alane (AlH₃)	P4/n 85	tP64		64	1.29
As₉Ca₅Fe₅Pt₂	10-4-8 [Ca₁₀	P4/n 85	tP42		42	6.42
BaO₁₂Ru₆	BaRu₆O₁₂	P4/n 85	tP76		76	6.86
Br₂Sr	α-SrBr₂	P4/n 85	tP30		30	4.28
Br₃(H₂O)₆KMg	Bromocarnallite	P4/n 85	tP44	E26	44	1.66
CaO₉V₄	CaV₄O₉	P4/n 85	tP28		28	3.70
MoO₅P	MoPO₅	P4/n 85	tP14		14	4.20
CaCrMnO₆Sb	Double-Double Perovskite CaMnCrSbO₆	P4₂/n 86	tP40		40	5.43
Cl₂NP	PNCl₂	P4₂/n 86	tP32	E14	32	2.21
ILiO₃	β-LiIO₃	P4₂/n 86	tP40		40	4.14
Na(OH)₆Sb	NaSb	P4₂/n 86	tP32	J111	32	2.14
Nd₄O₁₁Re₂	Nd₄Re₂O₁₁	P4₂/n 86	tP68		68	8.31
PTi₃	Ti₃P	P4₂/n 86	tP32		32	4.64
Al₃ClNa₄O₂₄Si₉	Marialite Scapolite [Na₄Cl	I4/m 87	tI82	S64	82	2.56
Ba₅Ni₄O₂₁Yb₈	Ba₅Yb₈Ni₄O₂₁	I4/m 87	tI76		76	8.47
Ga₂Te₅	Ga₂Te₅	I4/m 87	tI14		14	6.02
MoNi₄	Ni₄Mo	I4/m 87	tI10	D1a	10	9.42
Na₄O₅U	Na₄UO₅	I4/m 87	tI20		20	5.11
Ni₁₂P₅	Ni₁₂P₅	I4/m 87	tI34		34	7.53
NiO₆Sr₂W	Sr₂NiWO₆	I4/m 87	tI20		20	6.98
O₂V	High Temperature Metastable VO₂	I4/m 87	tI24		24	4.01
Te₄Ti₅	Ti₅Te₄	I4/m 87	tI18		18	6.39
CaO₄W	Scheelite	I4₁/a 88	tI24	H04	24	6.12
Cl₄Th	α-ThCl₄	I4₁/a 88	tI20		20	4.68
CuN₃	Copper (I) Azide (CuN₃)	I4₁/a 88	tI32		32	3.35
Ge₉Na₄O₂₀	Na₄Ge₉O₂₀	I4₁/a 88	tI132		132	4.27
NbO₂	α-NbO₂	I4₁/a 88	tI96		96	5.96
C₁₇FeH₁₇O₄Pt		P422 89	tP320		320	2.02
C₁₇FeH₁₇O₄Pt		P422 89	tP184		184	1.96
BaCu₄O₁₇P₄V	BaCu₄[VO][PO₄]₄	P42₁2 90	tP54		54	4.25
CCl₂O₃Pb₂	G7₅	P42₁2 90	tP16	G75	16	6.24
Cu₃Hg₂O₁₆Te₆	Hg₂Cu₃	P42₁2 90	tP54		54	6.26
H₄Na₂O₁₃Si₄Ti	Na₄Ti₂Si₈O₂₂	P42₁2 90	tP48		48	2.38
BCTh	ThBC	P4₁22 91	tP24		24	9.48
AlLiO₂	γ-LiAlO₂	P4₁2₁2 92	tP16		16	2.62
As₈Ni₁₁	Maucherite	P4₁2₁2 92	tP76		76	8.02
H₁₂NiO₁₀S	Retgersite	P4₁2₁2 92	tP96	H45	96	2.08
Ni₂Y₃	Y₃Ni₂	P4₁2₁2 92	tP80		80	5.53
O₂Si	α-Cristobalite	P4₁2₁2 92	tP12	C30	12	2.36
O₂Te	Paratellurite	P4₁2₁2 92	tP12		12	5.95
P₂Zn	Tetragonal	P4₁2₁2 92	tP24		24	3.53
Si₄Zr₅	Zr₅Si₄	P4₁2₁2 92	tP36		36	5.73
STl	Intermediate Temperature Tetragonal TlS	P4₁2₁2 92	tP64		64	6.98
AsC₃₂CeP₄S₈	AsPh₄CeS₈P₄Me₈	P4₂22 93	tP184		184	1.48
F₁₄Fe₃Na₅	Na₅Fe₃F₁₄	P4₂2₁2 94	tP44		44	3.25
F₆Li₂Mo	Li₂MoF₆	P4₂2₁2 94	tP18		18	3.68
BCTh	ThBC	P4₃22 95	tP24		24	9.48
AlB₁₂	α-AlB₁₂	P4₃2₁2 96	tP216		216	3.36
O₂Si	Keatite	P4₃2₁2 96	tP36		36	2.49
Si	ST12 Structure of Si: A_tP12_96_ab-001	P4₃2₁2 96	tP12		12	2.64
Cu₂F₈GdNa	NaGdCu₂F₈	I422 97	tI24		24	5.03
ISe₈Ta₂	Ta₂Se₈I	I422 97	tI44		44	6.42
As₂Cd	CdAs₂	I4₁22 98	tI12		12	5.89
Cd₂O₇Re₂	Phase III Cd₂Re₂O₇	I4₁22 98	tI44		44	8.81
BaO₃Ti	Room Temperature Tetragonal BaTiO₃	P4mm 99	tP5		5	6.05
O₃PbZr	Tetragonal PZT [Pb	P4mm 99	tP5		5	8.49
Ba₂O₈Si₂Ti	Fresnoite	P4bm 100	tP26		26	4.44
Ce₃N₁₁Si₆	Ce₃Si₆N₁₁	P4bm 100	tP40		40	4.96
Cl(NH₄)O₂	F5₄	P4bm 100	tP8	F54	8	1.84
N(NH₄)O₃	NH₄NO₃ II	P4bm 100	tP10	G09	10	1.55
C₇Cu₂H₁₂N₄S₃	[	P4₂cm 101	tP112		112	1.88
MgNiSn	Y-MgNiSn	P4₂cm 101	tP32		32	4.08
Al₂Gd₃	Gd₃Al₂	P4₂nm 102	tP20		20	6.55
NS₂	S₂	P4₂nm 102	tP24		24	2.14
NbTe₄	High Temperature NbTe₄	P4cc 103	tP10		10	6.82
O₆Se₂V	VSe₂O₆	P4cc 103	tP72		72	4.09
Ba₅Bi₅In₄	Ba₅In₄Bi₅	P4nc 104	tP28		28	7.16
HgI₆Tl₄	Tl₄HgI₆	P4nc 104	tP22		22	7.26
As₂BaGe₂	BaGe₂As₂	P4₂mc 105	tP20		20	5.47
H₃NaO₃Zn	NaZn[OH]₃	P4₂bc 106	tP64		64	2.96
BaNiSn₃	BaNiSn₃	I4mm 107	tI10		10	7.22
Co₅Ge₇	Co₅Ge₇	I4mm 107	tI24		24	7.87
GeP	GeP (High-pressure, superconducting)	I4mm 107	tI4		4	4.91
P₂U	Low Temperature UP₂	I4mm 107	tI24		24	8.82
O₉P₂VZn₂	Zn₂VO	I4cm 108	tI56		56	3.58
Si₃Sr₅	Sr₅Si₃ Structure	I4cm 108	tI32		32	3.41
AsNb	NbAs	I4₁md 109	tI8		8	8.01
LaPtSi	LaPtSi	I4₁md 109	tI12		12	9.16
B₂BeH₈	Be[BH₄]₂	I4₁cd 110	tI176		176	0.61
Ag₂HgI₄	E3₁ (β-Ag₂HgI₄)	P4̅2m 111	tP7	E31	7	6.02
Cu₉Fe₉S₁₆	Mooihoekite (Cu₉Fe₉S₁₆)	P4̅2m 111	tP34		34	4.37
F₂Mn	MnF₂	P4̅2m 111	tP12		12	4.48
AlCl₄Cu	α-CuAlCl₄	P4̅2c 112	tP12		12	2.58
Ba₂GeOS₆Zn	Ba₂ZnGe₂S₆O	P4̅2₁m 113	tP24		24	3.85
BaS₃	BaS₃ (D0₁₇)	P4̅2₁m 113	tP8	D017	8	3.94
Ca₂MgO₇Si₂	Akermanite	P4̅2₁m 113	tP24	S53	24	2.95
ClH₄NO₂	Ammonium Chlorite	P4̅2₁m 113	tP16		16	1.88
FeNb₂O₆	Tetragonal FeNb₂O₆	P4̅2₁m 113	tP18		18	5.44
Gd₂Mo₃O₁₂	β-Gd₂	P4̅2₁m 113	tP34		34	4.52
Ag₂H₁₂N₄O₄S	Ag₂SO₄·4NH₃	P4̅2₁c 114	tP46	H417	46	2.77
C₁₉Sc₁₅	C₁₉Sc₁₅	P4̅2₁c 114	tP68		68	3.55
Li₃PS₄	Theoretical δ-Li₃PS₄	P4̅2₁c 114	tP16		16	2.57
O₃Se	SeO₃	P4̅2₁c 114	tP32		32	3.44
Pd₄Se	Pd₄Se	P4̅2₁c 114	tP10		10	10.84
Al₂O₃	Deltalumite (δ-alumina, Al₂O₃)	P4̅m2 115	tP84		84	3.89
CuFeS₂	F6₁ Chalcopyrite (CuFeS₂) Structure ( Obsolete ): ABC2_tP4_115_a_c_g-001	P4̅m2 115	tP4	F61	4	4.22
CuSb₃Zr₂	Zr₂CuSb₃	P4̅m2 115	tP6		6	7.52
HgI₂	Orange (averaged) HgI₂	P4̅m2 115	tP12		12	6.34
P₂Rh₃	Rh₃P₂	P4̅m2 115	tP5		5	9.04
Ga₁₇Rh₁₀	Rh₁₀Ga₁₇	P4̅c2 116	tP108		108	9.17
Mn₄Si₇	Mn₄Ge₇ Nowotny Chimney-Ladder	P4̅c2 116	tP44		44	5.19
Ru₂Sn₃	Ru₂Sn₃	P4̅c2 116	tP20		20	9.82
Bi₂O₃	β-Bi₂O₃ (D5₁₂)	P4̅b2 117	tP20	D512	20	9.22
Ga₅Ir₃	Ir₃Ga₅	P4̅n2 118	tP32		32	12.84
In₃Ru	RuIn₃	P4̅n2 118	tP16		16	8.34
Cd₂O₇Re₂	Predicted Phase IV Cd₂Re₂O₇	I4̅m2 119	tI44		44	8.39
Cd₂O₇Re₂	Phase II Cd₂Re₂O₇	I4̅m2 119	tI44		44	8.81
FeS₂Tl	Tetragonal TlFeS₂	I4̅m2 119	tI8		8	5.73
Ga₃Rb	RbGa₃	I4̅m2 119	tI24		24	4.91
GaSb	GaSb (II)	I4̅m2 119	tI4		4	6.92
Mn₂RhSn	Mn₂RhSn Tetragonal Heusler	I4̅m2 119	tI8		8	9.03
AgMgSb	α-MgAgSb	I4̅c2 120	tI48		48	6.31
Au₄KSn₄	KAu₄Sn₂	I4̅c2 120	tI28		28	11.07
BeH₈O₈S	BeSO₄·4H₂O	I4̅c2 120	tI72	H43	72	1.72
AsCu₃S₄	Luzonite	I4̅2m 121	tI16		16	4.36
B₂Cu₂O₆Sr	SrCu₂	I4̅2m 121	tI44		44	4.10
BFe₂	C17	I4̅2m 121	tI12	C17	12	7.47
CdGeTe₄Tl₂	Tl₂CdGeTe₄	I4̅2m 121	tI16		16	7.37
CrK₃O₈	K₃CrO₈	I4̅2m 121	tI24		24	2.88
Cu₂FeS₄Sn	Stannite	I4̅2m 121	tI16	H26	16	4.46
SV₃	α-V₃S	I4̅2m 121	tI32		32	5.97
Ba₁₉Li₄₄	Ba₁₉Li₄₄	I4̅2d 122	tI252		252	2.20
C₂HgN₂	Mercury Cyanide [Hg	I4̅2d 122	tI40	F11	40	4.01
CuFeS₂	Chalcopyrite (CuFeS₂, E1₁)	I4̅2d 122	tI16	E11	16	4.18
H₆NO₄P	NH₄H₂PO₄	I4̅2d 122	tI56		56	1.83
KH₂PO₄	KH₂PO₄ (H2₂)	I4̅2d 122	tI40	H22	40	2.40
Mn_1.4PtSn	Mn_1.4PtSn	I4̅2d 122	tI28		28	10.63
NaS₂	NaS₂	I4̅2d 122	tI48		48	2.13
(H₂O)₈(OH)₂Sr	E6₁ [Sr	P4/mmm 123	tP11	E61	11	0.89
(H₂O)₈O₂Sr	E6₂ [SrO₂	P4/mmm 123	tP11	E62	11	0.95
Al₄Au_2(1-x)EuGe_2x	EuAuAl₄	P4/mmm 123	tP8		8	6.42
AlF₄Tl	TlAlF₄	P4/mmm 123	tP6	H08	6	6.15
As₂BaOTi₂	BaTi₂As₂O	P4/mmm 123	tP6		6	5.56
As₄CaFe₄Rb	CaRbFe₄As₄	P4/mmm 123	tP10		10	5.47
AuCu	CuAu	P4/mmm 123	tP2	L10	2	15.01
AuMn₃	AuMn₃	P4/mmm 123	tP12		12	5.05
Ba₂Ca₂Cu₃HgO₆	HgBa₂Ca₂Cu₃O₈	P4/mmm 123	tP16		16	6.22
Ba₂CaCu₂HgO₄	HgBa₂CaCu₂O₆	P4/mmm 123	tP12		12	6.54
Ba₂CaCu₂HgO₇	HgBa₂CaCu₂O_6+δ	P4/mmm 123	tP13		13	6.67
Ba₂Cu₃O₇Y	Tetragonal Ba₂YCu_3-xO_7-y	P4/mmm 123	tP14		14	6.45
Ba₂CuHgO₄	HgBa₂CuO₄	P4/mmm 123	tP8		8	6.99
BaCuFeO₅Y	YBaCuFeO₅	P4/mmm 123	tP11		11	7.85
Bi₅ClO₁₄PbTi₃	High Temperature Bi₅PbTi₃O₁₄Cl	P4/mmm 123	tP24		24	8.00
CaCuO₂	CaCuO₂	P4/mmm 123	tP4		4	4.72
CCeCr₂Si₂	CeCr₂Si₂C	P4/mmm 123	tP6		6	6.09
CCo₂Mn₂	Mn₂Co₂C	P4/mmm 123	tP5		5	7.34
Ce₃In₁₁Pd	Ce₃PdIn₁₁	P4/mmm 123	tP15		15	8.00
Ce₅In₁₉Pd₂	Ce₅Pd₂In₁₉	P4/mmm 123	tP26		26	7.98
CeGa₆Pd	CePdGa₆	P4/mmm 123	tP8		8	7.37
Cl₃H₄HgN₄	NH₄HgCl₃	P4/mmm 123	tP5	E25	5	3.82
Cl₄K₂Pt	K₂PtCl₄	P4/mmm 123	tP7	H15	7	3.37
CoGa₅Ho	HoCoGa₅	P4/mmm 123	tP7		7	7.90
CoGa₈Ho₂	Ho₂CoGa₈	P4/mmm 123	tP11		11	8.06
Cu₄KS₃	KCu₄S₃	P4/mmm 123	tP8		8	4.59
CuTi	δ-CuTi (L2_a)	P4/mmm 123	tP2	L2a	2	3.29
CuTi₃	CuTi₃ (L6₀)	P4/mmm 123	tP4	L60	4	5.54
FeNNi	FeNNi	P4/mmm 123	tP3		3	7.18
FeSi₂	Linzhiite	P4/mmm 123	tP3		3	5.04
IrSrO₃	γ-SrIrO₃ Double Perovskite	P4/mmm 123	tP10		10	8.92
Ca(H₂O)₈O₂	CaO₂	P4/mcc 124	tP22		22	0.63
CoNb₄Si	Nb₄CoSi	P4/mcc 124	tP12		12	7.87
NbTe₄	Room Temperature NbTe₄	P4/mcc 124	tP10		10	6.94
CdKSe₄	KCeSe₄	P4/nbm 125	tP12		12	4.86
Fe₂S₄Sr	SrFe₂S₄	P4/nbm 125	tP16		16	3.55
Ga₁₂NiSm₂	Sm₂NiGa₁₂	P4/nbm 125	tP30		30	7.18
Ga₆Pu	PuGa₆	P4/nbm 125	tP14		14	8.18
Pb₄Pt	PtPb₄	P4/nbm 125	tP10	D1d	10	12.82
Ag₄Ca₁₀Mg₂O₃₄(OH)₄Si₉	Vesuvianite	P4/nnc 126	tP252	S23	252	4.00
AgCoN₄(NH₃)₂O₈	Ag[Co	P4/nnc 126	tP32	J19	32	2.71
Al₂BiS₄	BiAl₂S₄	P4/nnc 126	tP28		28	3.90
AlF₃	κ-AlF₃	P4/mbm 127	tP40		40	3.03
AlF₄Rb	RbAlF₄ II	P4/mbm 127	tP12		12	3.80
B₂FeMo₂	Mo₂FeB₂	P4/mbm 127	tP10		10	8.50
B₄Th	ThB₄	P4/mbm 127	tP20	D1e	20	8.44
CCl₂O₃Pb₂	Phosgenite [Pb₂Cl₂	P4/mbm 127	tP32		32	6.12
Cl₂(H₂O)(NH₃)₄Pd	Pd	P4/mbm 127	tP16	H49	16	1.69
Hg₅Mn₂	Mn₂Hg₅	P4/mbm 127	tP14		14	12.95
K₃O₁₅W₃	Tetragonal Potassium Bronze	P4/mbm 127	tP46		46	7.28
NaNbO₃	NaNbO₃ P4/mbm Lueshite Perovskite	P4/mbm 127	tP10		10	4.46
Si₂U₃	Si₂U₃ (D5_a)	P4/mbm 127	tP10	D5a	10	12.22
Al₃F₁₄Na₅	Chiolite	P4/mnc 128	tP44	K75	44	3.00
Al₇Cu₂Fe	FeCu₂Al₇	P4/mnc 128	tP40	E9a	40	4.14
Ca₄FH₁₆KO₂₈Si₈	Apophyllite	P4/mnc 128	tP116	S52	116	2.38
Cl₆K₂Sn	Phase II K₂SnCl₆	P4/mnc 128	tP18		18	2.74
Mn₃Si₅U₂	U₂Mn₃Si₅	P4/mnc 128	tP40		40	8.55
AgLaO₃Ti	AgLaTiO₄	P4/nmm 129	tP14		14	6.39
AgLaOS	LaOAgS	P4/nmm 129	tP8		8	6.60
AlF₃	θ-AlF₃	P4/nmm 129	tP64		64	3.00
AsCuSiZr	AsCuSiZr	P4/nmm 129	tP8		8	6.63
B₁₀Nd₃Ni₂₉Si₄	Nd₃Ni₂₉Si₄B₁₀: A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-001	P4/nmm 129	tP92		92	7.87
Ba₂FInO₃	Ba₂InO₃F	P4/nmm 129	tP14		14	6.27
Be₂CaGe₂	CaBe₂Ge₂	P4/nmm 129	tP10		10	4.21
BrH₄N	NH₄Br	P4/nmm 129	tP12	B25	12	2.32
C₂CoU	UCoC₂	P4/nmm 129	tP8		8	11.92
Ca(H₂O)₆O₆P₂U₂	Meta-autunite	P4/nmm 129	tP26	H510	26	3.31
CaGaN	CaGaN	P4/nmm 129	tP6		6	4.27
ClFPb	Matlockite	P4/nmm 129	tP6	E01	6	7.10
CsF₄Fe	CsFeF₄ II	P4/nmm 129	tP24		24	4.43
Cu₂Sb	Cu₂Sb (C38)	P4/nmm 129	tP6	C38	6	8.46
Cu₃Ti₂	Ti₂Cu₃	P4/nmm 129	tP10		10	6.96
CuGaO₃SSr₂	Sr₂CuGaSO₃: ABC3DE2_tP16_129_a_c_cf_c_2c-001	P4/nmm 129	tP16		16	5.50
CuHfSi₂	HfCuSi₂	P4/nmm 129	tP8		8	7.91
CuTi	γ-CuTi (B11)	P4/nmm 129	tP4	B11	4	6.48
FLaO	LaOF	P4/nmm 129	tP6		6	5.95
IOPr	PrOI	P4/nmm 129	tP6		6	6.16
LaSe₂	La Se_1.85	P4/nmm 129	tP6		6	3.27
MoNTa	TaMoN	P4/nmm 129	tP6		6	13.05
Np	β-Np (A_d)	P4/nmm 129	tP4	Ad	4	19.38
OPb	Litharge	P4/nmm 129	tP4	B10	4	9.44
P₂U	High-Temperature UP₂	P4/nmm 129	tP6		6	8.84
PPt₃Sr	SrPt₃P	P4/nmm 129	tP10		10	12.87
Ba₅Si₃	Ba₅Si₃	P4/ncc 130	tP32		32	4.34
Bi₂CuO₄	CuBi₂O₄	P4/ncc 130	tP28		28	8.61
H₁₈O₁₀Sr	Sr	P4/ncc 130	tP116		116	1.90
O₂V	Room Temperature Metastable VO₂	P4/ncc 130	tP48		48	4.04
O₃W	α-WO₃	P4/ncc 130	tP16		16	7.05
O₅SiSr₃	Sr₃SiO₅: A5BC3_tP36_130_cg_b_cf-001	P4/ncc 130	tP36		36	4.78
B₂C₂La	LaB₂C₂	P4₂/mmc 131	tP10		10	5.30
IPdTe	PdTeI	P4₂/mmc 131	tP12		12	6.93
PtS	Cooperite (PtS, B17)	P4₂/mmc 131	tP4	B17	4	10.25
AgF₆U	AgUF₆	P4₂/mcm 132	tP16		16	6.53
Cu₂Rb₂S₄Ti	Rb₂TiCu₂S₄	P4₂/mcm 132	tP18		18	3.81
H₃PZr₃	Zr₃PD₃	P4₂/nbc 133	tP64		64	—
SV₃	β-V₃S	P4₂/nbc 133	tP32		32	5.99
B	T-50 B (A_g)	P4₂/nnm 134	tP50	Ag	50	2.34
Bi₄FFe₅O₁₃	Bi₄Fe₅O₁₃F	P4₂/mbc 135	tP108		108	7.56
O₂Se	Downeyite	P4₂/mbc 135	tP24	C47	24	4.21
O₄Pb₃	Minium-T	P4₂/mbc 135	tP28		28	8.94
O₄Sb₂Zn	ZnSb₂O₄	P4₂/mbc 135	tP28		28	5.80
Al₂Zr₃	Zr₃Al₂	P4₂/mnm 136	tP20		20	5.34
Ba₃S₇Zr₂	Tetragonal Ba₃Zr₂S₇	P4₂/mnm 136	tP48		48	4.30
BeO	β-BeO	P4₂/mnm 136	tP8		8	2.69
BFe₁₄Nd₂	Nd₂Fe₁₄B	P4₂/mnm 136	tP68		68	7.62
Bi₁₈Mn₅Rh₆	Rh₆Mn₅Bi₁₈	P4₂/mnm 136	tP58		58	10.79
BLi₃N₂	α-Li₃BN₂	P4₂/mnm 136	tP12		12	1.75
Cl₄CuH₄K₂O₂	K₂CuCl₄ cdot 2H₂O	P4₂/mnm 136	tP26	H41	26	2.39
Cr₄Fe₄Ni₄PdRh₂	σ-CrFe	P4₂/mnm 136	tP30	D8b	30	9.21
F₃Na₃O₈P₂V₂	Na₃V₂	P4₂/mnm 136	tP76		76	3.35
Fe₂O₇SrTb₂	SrTb₂Fe₂O₇	P4₂/mnm 136	tP48		48	7.01
Fe₄Si₂Zr	ZrFe₄Si₂	P4₂/mnm 136	tP14		14	6.68
Hg₂Na₃	Na₃Hg₂	P4₂/mnm 136	tP20		20	5.51
In₃Ir	IrIn₃	P4₂/mnm 136	tP16		16	10.14
N	γ-N	P4₂/mnm 136	tP4		4	1.16
O₂Ti	Rutile	P4₂/mnm 136	tP6	C4	6	4.25
O₆Sb₂Zn	Ordoñezite	P4₂/mnm 136	tP18		18	6.67
OV₈	α'-V₈O	P4₂/mnm 136	tP18		18	6.13
U	β-U (A_b)	P4₂/mnm 136	tP30	Ab	30	18.77
B₄CeCo₄	CeCo₄B₄	P4₂/nmc 137	tP18		18	7.70
BD₄K	Low Temperature KBD₄	P4₂/nmc 137	tP12		12	—
CoLi₆O₄	Li₆CoO₄	P4₂/nmc 137	tP22		22	2.75
HgI₂	Orange (II) HgI₂	P4₂/nmc 137	tP24		24	6.34
HgI₂	Coccinite (Red HgI₂, C13)	P4₂/nmc 137	tP6	C13	6	6.34
O₂Zr	ZrO₂	P4₂/nmc 137	tP6		6	5.86
P₂Zn₃	Zn₃P₂	P4₂/nmc 137	tP40	D59	40	4.57
C	C (T12 Group IV)	P4₂/ncm 138	tP12		12	3.47
Cl	Cl (A18) Structure ( Obsolete ): A_tP16_138_j-001	P4₂/ncm 138	tP16	A18	16	2.10
La₂NiO₄	Tetragonal La₂NiO₄	P4₂/ncm 138	tP28		28	7.03
Al₂Ge₈Sc₁₁	Sc₁₁Al₂Ge₈	I4/mmm 139	tI84		84	4.62
Al₃Ti	Al₃Ti (D0₂₂)	I4/mmm 139	tI8	D022	8	3.36
Al₃Zr	Al₃Zr (D0₂₃)	I4/mmm 139	tI16	D023	16	4.14
Al₄Ba	D1₃	I4/mmm 139	tI10	D13	10	3.58
As₂Mn₃O₂Sr₂	Sr₂Mn₃As₂O₂	I4/mmm 139	tI18		18	5.35
As₄Ba₂Fe₂OTi₂	Ba₂Ti₂Fe₂As₄O	I4/mmm 139	tI22		22	5.97
As₄Ca₂F₂Fe₄K	KCa₂Fe₄As₄F₂ Structure	I4/mmm 139	tI26		26	4.87
Au₂Nb₃	Au₂Nb₃	I4/mmm 139	tI10		10	12.90
AuCl₃Cs	AuCsCl₃	I4/mmm 139	tI20	K76	20	4.75
B₂CLuNi₂	LuNi₂B₂C	I4/mmm 139	tI12		12	12.94
Ba₂CaCu₂O₈Sr₂	Bi₂Sr₂CaCu₂O₈	I4/mmm 139	tI30		30	6.54
Ba₂CuO₄	0201 [	I4/mmm 139	tI14		14	7.11
Ba₃Ge₁₆Ir₄	Ba₃Ir₄Ge₁₆	I4/mmm 139	tI46		46	8.15
BaBi₄O₁₅Ti₄	High Temperature BaBi₄Ti₄O₁₅ m = 4 Aurivillius	I4/mmm 139	tI48		48	7.28
BaSb₂Zn	BaZnSb₂	I4/mmm 139	tI16		16	6.12
Bi₄O₁₁V₂	γ-Bi₄V₂O₁₁	I4/mmm 139	tI64		64	34.87
C	Hypothetical Tetrahedrally Bonded Carbon with 4-Member Rings Model	I4/mmm 139	tI8		8	3.42
C_xFe	Martensite Type FeC_x	I4/mmm 139	tI4	L'20	4	9.41
C₂Ca	CaC₂-I	I4/mmm 139	tI6	C11a	6	2.23
Ca(H₂O)_10.5(PO₄)₂(UO₂)₂	H5₉ [Autunite Ca	I4/mmm 139	tI10	H59	10	1.91
Ca₃Cl₂Cu₂O₄	Ca₃Cu₂O₄Cl₂: A3B2C2D4_tI22_139_ae_e_e_g-001	I4/mmm 139	tI22		22	3.99
CeIn₇Pt₂	CePt₂In₇	I4/mmm 139	tI20		20	9.64
Cl₂CuO₂Sr₂	Sr₂CuO₂Cl₂	I4/mmm 139	tI14		14	4.61
Cl₄K₂O₂Os	K₂OsO₂Cl₄	I4/mmm 139	tI18	J15	18	3.44
Cl₆(H₂O)₂K₃Tl	K₃TlCl₆·2H₂O	I4/mmm 139	tI168	J31	168	2.76
Cl₇Mn₂Rb₃	Rb₃Mn₂Cl₇	I4/mmm 139	tI24		24	3.01
ClHg	Calomel	I4/mmm 139	tI8	D31	8	7.17
CLi₂N₂	Li₂CN₂	I4/mmm 139	tI10		10	1.52
ClO₅Sc₂Sr₃	Sr₃Sc₂O₅Cl₂	I4/mmm 139	tI24		24	4.20
Co₂S₂Tl	TlCo₂S₂	I4/mmm 139	tI10		10	7.08
Cr₂Si₂Th	ThCr₂Si₂	I4/mmm 139	tI10		10	7.53
Cu₄Ti₃	Ti₃Cu₄	I4/mmm 139	tI14		14	6.81
CuNd₂O₄		I4/mmm 139	tI14		14	7.35
F₄K₂Ni	K₂NiF₄	I4/mmm 139	tI14		14	3.38
Fe₈N	Fe₈N (D2_g)	I4/mmm 139	tI18	D2g	18	7.45
FeLiO₂	β-LiFeO₂	I4/mmm 139	tI4		4	6.67
Ge₁₀Ho₁₁	Ho₁₁Ge₁₀	I4/mmm 139	tI84		84	8.93
H₂Th	ThH₂	I4/mmm 139	tI6	L'2b	6	9.19
HgNa₂O₂	Na₂HgO₂	I4/mmm 139	tI10		10	5.95
In	In (A6)	I4/mmm 139	tI2	A6	2	3.64
In₆Si₄Tb₁₁	Tb₁₁Si₄In₆	I4/mmm 139	tI84		84	7.90
Mn₁₂Th	Mn₁₂Th (D2_b)	I4/mmm 139	tI26	D2b	26	8.34
MoSi₂	MoSi₂ (C11_b)	I4/mmm 139	tI6	C11b	6	6.26
Nd₄Ni₃O₈	Nd₄Ni₃O₈	I4/mmm 139	tI30		30	7.55
O₁₀Sr₄Ti₃	Sr₄Ti₃O₁₀	I4/mmm 139	tI34		34	5.08
O₇Sr₃Ti₂	Sr₃Ti₂O₇	I4/mmm 139	tI24		24	5.04
Pa	Pa (A_a)	I4/mmm 139	tI2	Aa	2	15.33
Pt₈Ti	Pt₈Ti	I4/mmm 139	tI18		18	19.84
ReSi₂	ReSi₂	I4/mmm 139	oI6		6	10.66
Si	Hypothetical BCT5 Si	I4/mmm 139	tI4		4	2.56
V₄Zn₅	V₄Zn₅	I4/mmm 139	tI18		18	6.89
Al₂Cu	Khatyrkite (Al₂Cu, C16)	I4/mcm 140	tI12	C16	12	4.40
B₃Cr₅	Cr₅B₃	I4/mcm 140	tI32	D8l	32	6.12
BaFK₂O₄P	K₂BaPO₄F: ABC2D4E_tI36_140_a_c_h_l_b-001	I4/mcm 140	tI36		36	3.93
BaLa₂O₅Zn	BaLa₂ZnO₅	I4/mcm 140	tI36		36	6.72
Br₃CH₆NPb	Low Temperature Body-Centered Tetragonal CH₃NH₃PbBr₃	I4/mcm 140	tI272		272	5.75
Br₅(NH₄)Pb₂		I4/mcm 140	tI32	K34	32	5.45
Br₅(NH₄)Pb₂		I4/mcm 140	tI32	K34	32	5.45
Cl₅CoCs₃	Cs₃CoCl₅	I4/mcm 140	tI36	K31	36	3.55
CuF₃K	Tetragonal Perovskite KCuF₃	I4/mcm 140	tI20		20	3.94
F₂HK	KHF₂	I4/mcm 140	tI16	F52	16	2.37
Ga₅Pd	PdGa₅	I4/mcm 140	tI24		24	7.30
MnU₆	U₆Mn	I4/mcm 140	tI28	D2c	28	17.75
O₃SrZr	γ-SrZrO₃ Tetragonal Perovskite	I4/mcm 140	tI20		20	5.33
Pu₃₁Rh₂₀	Pu₃₁Rh₂₀	I4/mcm 140	tI204		204	14.11
Sb₂SiV₄	V₄SiSb₂	I4/mcm 140	tI28		28	6.88
SeTl	β-SeTl (B37)	I4/mcm 140	tI16	B37	16	8.33
Si₃W₅	W₅Si₃	I4/mcm 140	tI32	D8m	32	14.43
SiU₃	α-SiU₃ (D0_c)	I4/mcm 140	tI16	D0c	16	15.69
BaCd₁₁	BaCd₁₁	I4₁/amd 141	tI48		48	8.16
Bi₂CdO₄	Bi₂CdO₄	I4₁/amd 141	tI112		112	8.07
BiCdO₄Y	BiYCdO₄	I4₁/amd 141	tI112		112	6.27
BMo	MoB	I4₁/amd 141	tI16	Bg	16	8.67
Cl₄Th	β-ThCl₄	I4₁/amd 141	tI20		20	4.63
Cr₂CuO₄	CuCr₂O₄	I4₁/amd 141	tI28		28	5.43
Cu₄O₃	Paramelaconite (Cu₄O₃)	I4₁/amd 141	tI28		28	5.93
FeLiO₂	γ-LiFeO₂	I4₁/amd 141	tI16		16	4.28
Ga₂Hf	Ga₂Hf	I4₁/amd 141	tI24		24	10.14
HgI₂	Orange (I) HgI₂	I4₁/amd 141	tI48		48	6.34
In₂S₃	β-In₂S₃	I4₁/amd 141	tI80		80	4.64
Li₂O₄W	Li₂WO₄	I4₁/amd 141	tI112		112	5.79
LiSn	β-LiSn	I4₁/amd 141	tI24		24	5.10
Mn₃O₄	Haussmannite (Mn₃O₄)	I4₁/amd 141	tI28		28	4.84
Mo₂N	β-Mo₂N_1-x	I4₁/amd 141	tI12		12	9.69
NbP	NbP ( 40 )	I4₁/amd 141	tI8	``40''	8	6.54
O₁₆V₁₃	V₁₃O₁₆	I4₁/amd 141	tI116		116	5.38
O₂Ti	Anatase	I4₁/amd 141	tI12	C5	12	3.89
O₄SiZr	Zircon	I4₁/amd 141	tI24	S11	24	4.67
Sn	β-Sn (A5)	I4₁/amd 141	tI4	A5	4	7.29
ThSi₂	α-ThSi₂ (C_c)	I4₁/amd 141	tI12	Cc	12	7.84
AlH₂NaO₇Si₂	Analcime	I4₁/acd 142	tI184	S61	184	2.21
As₂Cd₃	Cd₃As₂	I4₁/acd 142	tI160		160	6.38
Au₃Zn	R₁ Au₃Zn	I4₁/acd 142	tI64		64	16.75
BaCo₂O₈V₂	BaCo₂V₂O₈	I4₁/acd 142	tI104		104	4.93
Be₃P₂	Tetragonal Be₃P₂	I4₁/acd 142	tI160		160	2.22
Er₅Rh₆Sn₁₈	Er₅Rh₆Sn₁₈	I4₁/acd 142	tI232		232	9.23
IrO₄Sr₂	Sr₂IrO₄	I4₁/acd 142	tI56		56	7.35
NaPb	NaPb	I4₁/acd 142	tI64		64	6.16
PdSn₂	α-PdSn₂	I4₁/acd 142	tI48		48	8.92
PPrS₄	PPrS₄	I4₁/acd 142	tI96		96	3.46
S	S-III	I4₁/acd 142	tI16		16	3.19

Trigonal (258)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
Al₄O₁₄Ta₃	Simpsonite	P3 143	hP21		21	6.82
Al₅Mo	Trigonal (h') Al₅Mo	P3 143	hP60		60	4.14
BLi₃O₉W	P3 La₃BWO₉	P3 143	hP28		28	6.64
Cl₂Cu₆O₁₀V₂	Averievite [Cu₅O₂	P3 143	hP21		21	4.37
MoS₂	Trigonal MoS₂	P3 143	hP12		12	4.70
Ge₄Ir	IrGe₄	P3₁ 144	hP15		15	9.24
NO₃Rb	RbNO₃	P3₁ 144	hP45		45	3.06
TeZn	ZnTe	P3₁ 144	hP6		6	7.26
C₂Ca₃F₃NaO₇	Sheldrickite	P3₂ 145	hP48		48	2.84
Ag₃IS	γ-Ag₃SI	R3 146	hR5		15	6.94
FePSe₃	FePSe₃	R3 146	hR10		30	4.79
Li₂O₆TeZr	Li₂ZrTeO₆	R3 146	hR10		30	5.11
LiO₄PZn	Rhombohedral LiZnPO₄	R3 146	hR42		126	3.42
P₃Pd₇	Pd₇P₃	R3 146	hR20		60	9.53
STl₂	Carlinite	R3 146	hR27		81	8.50
AgZn	γ-AgZn (B_b)	P3̅ 147	hP9	Bb	9	9.84
B₂Ru₃U	URu₃B₂	P3̅ 147	hP48		48	12.13
BaNa₂NiO₈P₂	Na₂BaNi	P3̅ 147	hP14		14	4.25
Bi₂Pt	PtBi₂	P3̅ 147	hP9		9	13.26
ClCsCu₅O₂(VO₄)₂	Trigonal Averievite [	P3̅ 147	hP86		86	6.11
CsO₈S₂V	CsV	P3̅ 147	hP12		12	3.47
Na₂O₃S	Na₂SO₃	P3̅ 147	hP12	G32	12	2.66
AgAsS₂	Trechmannite (AgAsS₂)	R3̅ 148	hR24		72	4.78
Al₃₀Mg₂₃	Mg₂₃Al₃₀	R3̅ 148	hR53		159	2.20
AlO₄P	Calcined AlPO₄-34	R3̅ 148	hR36		108	1.38
AlPd	PdAl	R3̅ 148	hR26		78	7.75
As₂BaNi₂O₈	BaNi₂As₂O₈	R3̅ 148	hR13		39	5.33
BaMo₆S₈	BaMo₆S₈	R3̅ 148	hR15		45	5.49
Be₂O₄Si	Phenakite	R3̅ 148	hR42	S13	126	2.98
BiI₃	Rhombohedral BiI₃ (D0₅)	R3̅ 148	hR8	D05	24	5.84
C₂₄Cl₃H₆₆Si₆Sn₇	Sn₁₄Cl₆	R3̅ 148	hR212		636	1.89
C₂CaMgO₆	Dolomite [MgCa	R3̅ 148	hR10	G11	30	2.87
C₈H₈	Solid Cubane (C₈H₈)	R3̅ 148	hR16		48	1.29
Cl₁₂Sc₇	Sc₇Cl₁₂	R3̅ 148	hR19		57	2.87
Cl₂Pd	β-PdCl₂	R3̅ 148	hR18		54	4.18
Cl₃Cu₉H₁₉O₁₉Y₃	Y₃Cu₉	R3̅ 148	hR63		189	3.64
Cl₆(H₂O)₆NiSn	Ni	R3̅ 148	hR14	I61	42	1.89
Cr₂S₃	Rhombohedral Cr₂S₃	R3̅ 148	hR10		30	3.91
Cu₆H₁₂O₂₄Si₆	Dioptase [Cu₆	R3̅ 148	hR48		144	3.30
CuF₆Zr	β-CuZrF₆	R3̅ 148	hR8		24	3.63
Fe₂O₁₂S₃	Mikasaite	R3̅ 148	hR34		102	3.06
FePSe₃	FePSe₃	R3̅ 148	hR10		30	4.80
FeTiO₃	Ilmenite (FeTiO₃, E2₂)	R3̅ 148	hR10	E22	30	4.79
H₆K₂O₆Sn	K₂Sn	R3̅ 148	hR15	H62	45	3.14
Li₇O₆Ta	Li₇TaO₆	R3̅ 148	hR15		45	4.42
Mg₃O₆Te	Mg₃TeO₆	R3̅ 148	hR20		60	4.46
Mn₇O₁₂Sr	SrMn₇O₁₂	R3̅ 148	hR20		60	5.43
P₂Pd₁₅	Pd₁₅P₂	R3̅ 148	hR17		51	11.05
S	S₆ (ρ-S) Sulfur	R3̅ 148	hR6		18	2.21
MnO₆PbTe	PbMnTeO₆	P312 149	hP9		9	6.63
OTi₃	Ti₃O	P312 149	hP24		24	4.85
AlKO₈S₂	Steklite [KAl	P321 150	hP12	H32	12	2.81
As₂Cl₉Cs₃	Cs₃As₂Cl₉	P321 150	hP14	K73	14	3.44
As₂O₁₄Pb₃TeZn₃	Dugganite	P321 150	hP23		23	6.79
BaC₂CaO₆	Paralstonite	P321 150	hP30		30	3.68
Cl₂H₁₂O₆Sr	SrCl₂cdot	P321 150	hP21		21	1.96
F₆Na₂Th	β-Na₂ThF₆	P321 150	hP9		9	5.59
Fe₂P	Original Fe₂P (C22)	P321 150	hP9	C22	9	6.95
KO₃S	KSO₃	P321 150	hP30	K11	30	2.23
C₅V₆	V₆C₅	P3₁12 151	hP33		33	5.64
Cl₃Cr	CrCl₃	P3₁12 151	hP24	D04	24	2.91
AlAsO₄	Alarsite (AlAsO₄)	P3₁21 152	hP18		18	3.36
B₂O₃	Trigonal B₂O₃	P3₁21 152	hP15		15	2.55
Ga₃Ge₆Ni₁₃	Ni₁₃Ga₃Ge₆	P3₁21 152	hP66		66	8.74
O₂Si	α	P3₁21 152	hP9		9	2.65
Se	γ-Se (A8)	P3₁21 152	hP3	A8	3	4.81
Cl₃Cr	CrCl₃	P3₂12 153	hP24		24	2.91
Li₄O₇P₂	Trigonal Li₄P₂O₇	P3₂12 153	hP39		39	2.29
Ag₂RbS₄Sb	RbAg₂SbS₄	P3₂21 154	hP24		24	4.32
EuIr₂P₂	EuIr₂P₂	P3₂21 154	hP15		15	10.96
HgS	Cinnabar (HgS, B9)	P3₂21 154	hP6	B9	6	8.20
S	S-II	P3₂21 154	hP9		9	2.72
Al₉ErNi₃	ErNi₃Al₉	R32 155	hR26		78	4.66
AlF₃	AlF₃ (D0₁₄)	R32 155	hR8	D014	24	3.21
BBe₂F₂KO₃	KBe₂BO₃F₂	R32 155	hR9		27	2.41
BGdO₃	Low Temperature GdBO₃	R32 155	hR30		90	6.34
C₃CaMg₃O₁₂	Huntite [CaMg₃	R32 155	hR20		60	2.88
Ni₃S₂	Hazelwoodite (Ni₃S₂, D5_e)	R32 155	hR5	D53	15	5.91
BiITe	BiTeI	P3m1 156	hP3		3	6.89
CdI₂	CdI₂ (Polytype 6H₁)	P3m1 156	hP9		9	5.72
CuI	β-CuI (Kurdyumova)	P3m1 156	hP12		12	5.82
CuI	β-CuI (Sakuma)	P3m1 156	hP4		4	5.57
KNaO₄S	Belomarinaite	P3m1 156	hP14		14	2.69
Ag₅O₆Pb₂	Ag₅Pb₂O₆	P31m 157	hP13		13	8.88
Al₄Pt	PtAl₄	P3c1 158	hP102		102	6.72
Cl₃Ru	β-RuCl₃	P3c1 158	hP8		8	3.75
BaCo₄O₇Yb	YbBaCo₄O₇	P31c 159	hP26		26	6.29
Bi₂O₃	HP-Bi₂O₃	P31c 159	hP20		20	9.44
N₄Si₃	α-Si₃N₄	P31c 159	hP28		28	3.17
Al₈Cr₅	Cr₅Al₈	R3m 160	hR26	D810	78	4.26
As₃Sn₄	Sn₄As₃	R3m 160	hR7		21	6.67
BaO₃Ti	Rhombohedral BaTiO₃	R3m 160	hR5		15	6.05
BrKO₃	KBrO₃	R3m 160	hR5	G07	15	3.26
Cl₈Na₂Ti₃	γ-Na₂Ti₃Cl₈	R3m 160	hR13		39	2.77
COS	Carbonyl Sulphide (COS, F0₂)	R3m 160	hR3	F02	9	1.55
CrCuS₂	CrCuS₂	R3m 160	hR4		12	4.54
CrHO₂	Grimaldiite	R3m 160	hR4		12	4.07
CSi	Moissanite-15R	R3m 160	hR10	B7	30	3.24
CSi	Moissanite 9R (CSi)	R3m 160	hR6		18	3.43
Fe₃O₇P	Fe₃PO₇	R3m 160	hR11		33	4.06
Fe₅GeTe₂	Fe_5-δGeTe₂	R3m 160	hR8		24	7.34
FeO₃(OH)₂Si	Cronstedtite {Fe	R3m 160	hR7	S57	21	1.48
GaMo₄S₈	Low Temperature GaMo₄S₈	R3m 160	hR13		39	4.89
GaSe	γ-GaSe	R3m 160	hR4		12	5.13
GeTe	GeTe	R3m 160	hR2		6	6.23
H₃S	H₃S (130 GPa)	R3m 160	hR4		12	3.87
I₃S₂₄Sb	SbI₃S₂₄	R3m 160	hR28		84	2.68
KNO₃	γ-Potassium Nitrate (KNO₃)	R3m 160	hR5		15	2.11
MoS₂	Rhombohedral MoS₂	R3m 160	hR3		9	4.99
NiS	Millerite (NiS, B13)	R3m 160	hR6	B13	18	5.37
Ag₃AsS₃	Proustite (Ag₃AsS₃)	R3c 161	hR14		42	5.71
B₂BaO₄	α-BaB₂O₄	R3c 161	hR42		126	3.86
C₂FeH₆MgNaO₇	Stepanovite	R3c 161	hR96		288	1.68
Ge₃La₄S₁₂	La₄Ge₃S₁₂	R3c 161	hR38		114	4.37
LiNbO₃	Ferroelectric LiNbO₃	R3c 161	hR10		30	4.44
Au₇IP₁₀	Trigonal Au₇P₁₀I	P3̅1m 162	hP18		18	8.20
BiI₃	Hexagonal BiI₃	P3̅1m 162	hP8		8	5.83
Cl₂(H₂O)₆Sr	I1₃ [SrCl₂cdot	P3̅1m 162	hP9	I13	9	1.24
NV₂	β-V₂N	P3̅1m 162	hP9	L'32	9	6.04
O₆PbSb₂	Rosiaite	P3̅1m 162	hP9		9	6.96
AgC₂KN₂	KAg	P3̅1c 163	hP36	F510	36	2.39
AlCaF₆Li	Colquiriite	P3̅1c 163	hP18		18	2.98
Cr₅S₆	Trigonal Cr₅S₆	P3̅1c 163	hP22		22	4.21
F₆NaSb	NaSbF₄	P3̅1c 163	hP16	J112	16	3.64
GeNa₂O₆Te	β-Na₂GeTeO₆	P3̅1c 163	hP20		20	4.75
Mn₃Si₂Te₆	Mn₃Si₂Te₆	P3̅1c 163	hP22		22	5.37
Si₂Te₃	Si₂Te₃	P3̅1c 163	hP40		40	5.97
AgBiSe₂	Bohdanowiczite (AgBiSe₂)	P3̅m1 164	hP12		12	7.95
Al₃Ni₂	Al₃Ni₂ (D5₁₃)	P3̅m1 164	hP5	D513	5	4.79
AlCl₃	D0₁₃ (AlCl₃) Structure ( Obsolete ): AB3_hP4_164_a_bd-001	P3̅m1 164	hP4	D013	4	2.49
AlKMo₂O₈	KAl	P3̅m1 164	hP12		12	3.40
Ba₃O₉SrTa₂	Ba₃SrTa₂O₉	P3̅m1 164	hP15		15	7.29
BaMnNa₂O₈V₄	Trigonal Na₂BaMn	P3̅m1 164	hP14		14	4.01
Bi₄MnTe₇	MnBi₄Te₇	P3̅m1 164	hP12		12	7.57
BiSe	Nevskite (BiSe)	P3̅m1 164	hP12		12	8.14
Ca₂O₄Si	Trigonal α-Ca₂SiO₄	P3̅m1 164	hP14		14	2.95
CdI₂	ω Phase (CdI₂, C6)	P3̅m1 164	hP3	C6	3	5.71
Ce₂O₂S	Ce₂O₂S	P3̅m1 164	hP5		5	6.05
Cl₂Cu₃(OH)₆Zn	Kapellasite	P3̅m1 164	hP12		12	3.56
Cl₂Cu₇O₂(PO₄)₂	Averievite [	P3̅m1 164	hP45		45	10.30
Cl₃Cu₃H₆O₆Y	YCu₃	P3̅m1 164	hP21		21	5.01
ClCsCu₅O₂(PO₄)₂	Averievite [	P3̅m1 164	hP21		21	5.93
Cu_1-xFe_xS₄	Nukundamite [	P3̅m1 164	hP8		8	4.39
Cu₂LiP₂Tb	TbLiCu₂P₂	P3̅m1 164	hP6		6	6.50
CuI	β-CuI (Keen-Hull)	P3̅m1 164	hP6		6	7.32
CuNiSb₂	Zlatogorite (CuNiSb₂)	P3̅m1 164	hP4		4	8.34
F₆GeK₂	K₂GeF₆	P3̅m1 164	hP9	J113	9	3.46
Fe₆(NH₄)₂Si	Bararite [Trigonal	P3̅m1 164	hP9	J16	9	2.03
H₁₆Li₂Mg	Predicted Li₂MgH₁₆ 300 GPa	P3̅m1 164	hP19		19	2.51
H₂MgO₂	Brucite [Mg	P3̅m1 164	hP5		5	2.36
Hg₇K₂	K₂Hg₇	P3̅m1 164	hP9		9	9.82
HgPt₂Se₃	Jacutingaite	P3̅m1 164	hP12		12	11.10
K₂O₈P₂RbSc	K₂RbSc	P3̅m1 164	hP14		14	3.32
K₂Pt(SCN)₆	K₂Pt(SCN)₆ (H6₃)	P3̅m1 164	hP9	H63	9	1.92
K₃NaO₈S₂	Aphthitalite/Glaserite [K₃Na	P3̅m1 164	hP14		14	2.70
La₂O₃	La₂O₃ (D5₂)	P3̅m1 164	hP5	D52	5	6.57
LaLi₃Sb₂	LaLi₃Sb₂	P3̅m1 164	hP6		6	4.87
Li₁₃Sn₅	Li₁₃Sn₅	P3̅m1 164	hP18		18	3.47
Li₇Pb₂	Li₇Pb₂	P3̅m1 164	hP9		9	4.66
NW₂	δ_H^II-NW₂	P3̅m1 164	hP9		9	11.50
P₂Pd₃S₈	Pd₃P₂S₈	P3̅m1 164	hP13		13	3.60
Al₃Li₉O₂₉P₈	Li₉Al₃	P3̅c1 165	hP98		98	2.67
Cu₃P	Cu₃P (D0₂₁)	P3̅c1 165	hP24	D021	24	7.15
H₃Ho	H₃Ho	P3̅c1 165	hP24		24	7.40
Mn₄Nb₂O₉	Nb₂Mn₄O₉	P3̅c1 165	hP30		30	5.17
Al_3.8Ca_1.4H₂₆O₃₇Si_8.3Sr_0.3	Chabazite	R3̅m 166	hR62	S34(I)	186	1.89
Al₃Ho	HoAl₃	R3̅m 166	hR20		60	5.37
Al₄AuCeGe₂	CeAuAl₄Ge₂	R3̅m 166	hR8		24	5.98
Al₄C₃	Al₄C₃ (D7₁)	R3̅m 166	hR7	D71	21	2.98
Al₆C₃N₂	Al₆C₃N₂	R3̅m 166	hR11		33	3.08
Al₈C₃N₄	Al₈C₃N₄	R3̅m 166	hR15		45	3.12
AlF₆K₂Li	High Temperature K₂LiAlF₆	R3̅m 166	hR20		60	2.98
As	α-As (A7)	R3̅m 166	hR2	A7	6	5.83
B	β-B (R-105)	R3̅m 166	hR105		315	2.27
B	α-B (R-12)	R3̅m 166	hR12		36	2.46
B₁₃C₂	B₁₃C₂ B₄C (D1_g)	R3̅m 166	hR15	D1g	45	2.48
B₅Mo₂	Mo₂B₅	R3̅m 166	hR7	D8i	21	7.46
Ba₃Cr₂O₈	Ba₃Cr₂O₈	R3̅m 166	hR13		39	5.26
Ba₄NbO₁₂Ru₃	Ba₄NbRu₃O₁₂	R3̅m 166	hR20		60	6.91
BaO₃Ru	9R BaRuO₃	R3̅m 166	hR15		45	6.92
BaPb₃	BaPb₃	R3̅m 166	hR12		36	9.57
BCTh₂	ThB₂C	R3̅m 166	hR12		36	9.04
Be₁₇Nb₂	Nb₂Be₁₇	R3̅m 166	hR19		57	3.35
Be₃Nb	NbBe₃	R3̅m 166	hR12		36	4.73
Bi₂MnTe₄	MnBi₂Te₄	R3̅m 166	hR7		21	7.49
Bi₂STe₂	Tetradymite	R3̅m 166	hR5		15	7.25
Bi₂Te₃	Bi₂Te₃ (C33)	R3̅m 166	hR5	C33	15	7.93
Bi₄Te₃	Bi₄Te₃	R3̅m 166	hR7		21	8.45
Bi₆MnTe₁₀	MnBi₆Te₁₀	R3̅m 166	hR17		51	7.62
BrZr	ZrBr	R3̅m 166	hR4		4	5.71
C	Rhombohedral Graphite	R3̅m 166	hR2		6	2.28
C₂TaV	Ta₂VC₂	R3̅m 166	hR6		18	12.80
CaC₆	CaC₆	R3̅m 166	hR7		21	2.53
CaCu₄P₂	CaCu₄P₂	R3̅m 166	hR7		21	5.65
CaO₄U	CaUO₄	R3̅m 166	hR6		18	6.84
CaSi₂	CaSi₂ (C12)	R3̅m 166	hR6	C12	18	2.43
CdCl₂	CdCl₂	R3̅m 166	hR3		9	3.72
Ce₄Ga₅Rh₉	Ce₄Ga₅Rh₉	R3̅m 166	hR18		54	9.71
Ce₅Co₁₉	Ce₅Co₁₉	R3̅m 166	hR24		72	8.81
Ce₅Ga₇Rh₁₂	Ce₅Ga₇Rh₁₂	R3̅m 166	hR24		72	9.55
Ce₇Ga₁₁Rh₁₈	Ce₇Ga₁₁Rh₁₈	R3̅m 166	hR36		108	9.75
Cl₂Cu₃H₆O₆Zn	Herbertsmithite	R3̅m 166	hR18		54	3.75
Cl₈Mn₃Na₂	Na₂Mn₃Cl₈	R3̅m 166	hR13		39	2.61
ClZr	Rhombohedral ZrCl	R3̅m 166	hR4		4	4.68
Co₇Er₂	Er₂Co₇	R3̅m 166	hR18		54	9.62
CrNaS₂	Caswellsilverite (CrNaS₂, F5₁)	R3̅m 166	hR4	F51	12	3.27
CsSb₆V₆	CsV₆Sb₆	R3̅m 166	hR13		39	6.19
Cu₃K₃P₂	K₃Cu₃P₂: A3B3C2_hR8_166_d_ac_c-001	R3̅m 166	hR8		24	3.26
CuFeO₂	Rhombohedral Delafossite (CuFeO₂)	R3̅m 166	hR4		12	5.51
CuPt	Rhombohedral CuPt (L1₁)	R3̅m 166	hR2	L11	6	10.14
CuS₄Ti₂	Rhombohedral CuTi₂S₄	R3̅m 166	hR28		84	3.85
Fe₂O₄Yb	YbFe₂O₄	R3̅m 166	hR7		21	6.71
Fe₃Sn₂	Fe₃Sn₂	R3̅m 166	hR10		30	8.11
Fe₄GeTe₂	Fe₄GeTe₂	R3̅m 166	hR10		30	8.88
Fe₇W₆	Fe₇W₆ (D8₅) μ-phase	R3̅m 166	hR13	D85	39	14.70
FeNaO₂	α-NaFeO₂	R3̅m 166	hR4		12	4.32
FOY	YOF	R3̅m 166	hR6		18	5.16
GaRh₃Y₂	Y₂Rh₃Ga	R3̅m 166	hR6		18	8.71
GeSb₂Te₄	GeSb₂Te₄	R3̅m 166	hR7		21	6.61
Hf₃N₂	ε-Hf₃N₂	R3̅m 166	hR6		18	13.89
Hf₄N₃	ζ-Hf₄N₃	R3̅m 166	hR8		24	13.79
Hg	α-Hg (A10)	R3̅m 166	hR1	A10	3	14.49
HKS	KSH	R3̅m 166	hR2	B22	6	1.67
In₃Te₄	In₃Se₄	R3̅m 166	hR7		21	6.59
ISSm	SmSI	R3̅m 166	hR6		18	5.28
KNO₃	β-Potassium Nitrate (KNO₃)	R3̅m 166	hR8		24	2.96
La₃Mn₂O₁₄Sb₃	Mn₂La₃Sb₃O₁₄	R3̅m 166	hR22		66	6.33
Li₂Mn₃O₇	Li₂Mn₃O₇	R3̅m 166	hR4		12	4.62
Li₈Pb₂	Li₈Pb₂	R3̅m 166	hR11		33	5.34
LiNiO₂	LiNiO₂	R3̅m 166	hR4		12	4.78
Ni₃Pb₂S₂	Shandite (Ni₃Pb₂S₂)	R3̅m 166	hR7		21	8.83
O	β-O₂	R3̅m 166	hR2		6	1.51
P₃Sn	SnP₃	R3̅m 166	hR8		24	4.25
P₃Sn₄	Sn₄P₃	R3̅m 166	hR7		21	5.87
P₄Sn₃	Sn₃P₄	R3̅m 166	hR19		57	8.81
Po	β-Po (A_i)	R3̅m 166	hR1	Ai	3	9.48
Sm	α-Sm (C19)	R3̅m 166	hR3	C19	9	7.54
Sn₃Sr	SrSn₃	R3̅m 166	hR16		48	6.42
TaTi₇	TaTi₇ (BCC SQS-16)	R3̅m 166	hR16		48	6.12
Th₂Zn₁₇	Th₂Zn₁₇	R3̅m 166	hR19		57	8.42
AgO₃Ru	AgRuO₃	R3̅c 167	hR20		60	6.69
Al₂O₃	Corundum (α-alumina, Al₂O₃, D5₁)	R3̅c 167	hR10	D51	30	3.98
Al₅Mo	Rhombohedral Al₅Mo	R3̅c 167	hR12		36	4.13
B₂BaO₄	β-BaB₂O₄	R3̅c 167	hR42		126	3.75
BKO₂	KBO₂	R3̅c 167	hR24	F513	72	2.37
CCaO₃	Calcite	R3̅c 167	hR10	G01	30	2.71
Cl₆FeK₃Na	Rinneite	R3̅c 167	hR22		66	2.34
Cl₉Cs₃Tl₂	Cs₃Tl₂Cl₉	R3̅c 167	hR28	K72	84	4.33
CrCl₃(H₂O)₆	CrCl₃(H₂O)₆ (J2₂)	R3̅c 167	hR20	J22	60	1.14
Cs₆O₃₆W₁₁	Cs₆W₁₁O₃₆	R3̅c 167	hR106		318	6.70
Cu₂O₁₁Ta₄	Cu₂Ta₄O₁₁	R3̅c 167	hR36		108	8.74
F₃Fe	FeF₃	R3̅c 167	hR8	D012	24	3.60
LiONbO₃	Paraelectric LiNbO₃	R3̅c 167	hR10		30	4.40
MoO₁₁P₃Si	MoP₃SiO₁₁	R3̅c 167	hR64		192	3.19
Na₃O₁₂PSi₂Zr₂	True High Nasicon	R3̅c 167	hR54		162	4.17
NiO₃Pr	PrNiO₃ Rhombohedral Perovskite	R3̅c 167	hR10		30	7.30
Re₂₅Zr₂₁	Zr₂₁Re₂₅	R3̅c 167	hR92		276	12.90
Rh₃ScSi₇	ScRh₃Si₇	R3̅c 167	hR22		66	5.71

Hexagonal (249)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
AlO₄P	Computational AlPO₄-5	P6 168	hP72		72	1.77
F₄K₂O₉Ta₄	K₂Ta₄O₉F₄	P6 168	hP57		57	5.88
Al₂S₃	Al₂S₃	P6₁ 169	hP30		30	2.34
AlNaO₄Si	Hexagonal Trinepheline	P6₁ 169	hP168		168	2.64
Cl₅GaOSe	GaSeCl₅O	P6₁ 169	hP48		48	2.72
Al₂S₃	Al₂S₃	P6₅ 170	hP30		30	2.34
CsKMoO₉P₂	KCsMoP₂O₉	P6₅ 170	hP84		84	3.47
B₁₀H₁₀Mn₁₀	MnB₁₀H₁₀	P6₂ 171	hP63		63	1.41
O₁₀S₂Sr	Sr[S₂O₆][H₂O]₄	P6₂ 171	hP39		39	2.33
O₁₀S₂Sr	Sr[S₂O₆][H₂O]₄	P6₄ 172	hP39		39	2.33
Al₈₋ₓNa₈₋ₓO₃₂Si₈₊ₓ	Sodium nepheline	P6₃ 173	hP64		64	3.00
Al₃CCaNa₃O₁₅Si₃	Crancrinite	P6₃ 173	hP52	S33(I)	52	2.41
BaMgO₄Si	BaMgSiO₄	P6₃ 173	hP42		42	4.02
BLa₃O₉W	P6₃ La₃BWO₉	P6₃ 173	hP28		28	6.64
CuLa₃S₇Si	La₃CuSiS₇	P6₃ 173	hP24		24	4.56
FeNb₃S₆	Edgarite (FeNb₃S₆) P6₃	P6₃ 173	hP20		20	4.56
I₃P	PI₃	P6₃ 173	hP8		8	4.18
ILiO₃	α-LiIO₃	P6₃ 173	hP10		10	5.02
KLiO₄S	LiKSO₄	P6₃ 173	hP14	H14	14	2.38
N₄Si₃	β-Si₃N₄	P6₃ 173	hP14		14	3.21
Ag_5-xTe₃	Stützite (Ag_5-xTe₃)	P6̅ 174	hP57		57	8.22
Fe₁₂P₇Zr₂	Fe₁₂Zr₂P₇	P6̅ 174	hP21		21	7.05
Ga₉O₂S₁₃Tl₃	Tl₃Ga₉S₁₃O₂	P6̅ 174	hP27		27	4.73
GdIS	GdSI	P6̅ 174	hP12		12	5.03
P₄Rh₆Sc	ScRh₆P₄	P6̅ 174	hP11		12	8.80
Ag₅₁Gd₁₄	Ag₅₁Gd₁₄	P6/m 175	hP68		68	10.28
B₈Nb₇Ru₆	Nb₇Ru₆B₈	P6/m 175	hP21		21	8.96
Ge₁₃Na₄	Na₄Ge₁₃	P6/m 175	hP58		58	6.90
HMgN	Mg[NH]	P6/m 175	hP36		36	1.83
Al₉O₅₅P₉		P6₃/m 176	hP146		146	2.05
B₃CCa₄Mn₃O₁₅	Gaudefroyite Ca₈Mn₆[	P6₃/m 176	hP60		60	3.88
B₈Nb₇Rh₆	Nb₇Rh₆B₈	P6₃/m 176	hP126		126	9.12
B₉Ba₃O₁₈Y	YBa₃B₉O₁₈	P6₃/m 176	hP62		62	3.89
C₉Fe₂O₉	Fe₂	P6₃/m 176	hP40	F4₁	40	2.09
Ca₅FO₁₂P	Fluorapatite [Ca₅F	P6₃/m 176	hP42	H57	42	3.18
Cl₃U	UCl₃	P6₃/m 176	hP8		8	5.55
Cl₉K₃W₂	K₃W₂Cl₉	P6₃/m 176	hP28	K71	28	3.69
Co_15.5Na₅O₃₆Te₆	Na₅Co_15.5Te₆O₃₆	P6₃/m 176	hP66		66	5.83
Cu₁₀Sb₃	Cu₁₀Sb₃	P6₃/m 176	hP26		26	9.09
Cu₁₀Sn₃	ζ-Cu₁₀Sn₃	P6₃/m 176	hP26		26	8.99
Er₃Ru₂	Er₃Ru₂	P6₃/m 176	hP10		10	11.07
Fe₃Te₃Tl	TlFe₃Te₃	P6₃/m 176	hP14		14	7.84
LaRu₃Si₂	LaRu₃Si₂	P6₃/m 176	hP12		12	8.33
N₄Si₃	β-Si₃N₄	P6₃/m 176	hP14		14	3.19
Nb₃Te₄	Nb₃Te₄	P6₃/m 176	hP14		14	7.29
O₂₅P₆Pb₁₀	Lead Apatite [Pb₁₀	P6₃/m 176	hP44		44	7.17
Rh₂₀Si₁₃	Rh₂₀Si₁₃	P6₃/m 176	hP34		34	9.24
S₁₂Th₇	Th₇S₁₂	P6₃/m 176	hP20	D8k	20	8.72
Al₃FeKMgO₁₈S₆	Indialite	P622 177	hP60		60	2.78
C₇ClFeH₁₅NO₈	[Fe	P622 177	hP444		444	1.88
O₂Si	Hypothetical Hexagonal SiO₂	P622 177	hP36		36	2.27
AuF₃	AuF₃	P6₁22 178	hP24		24	6.77
Cl₃CsCu	CsCuCl₃	P6₁22 178	hP30		30	3.68
Ir₃Zr₅	Zr₅Ir₃	P6₁22 178	hP48		48	11.11
Sc	Sc-V (High-Pressure)	P6₁22 178	hP6		6	8.93
AuF₃	AuF₃	P6₅22 179	hP24		24	6.78
BH₄O₁₂P₂Sc	Sc	P6₅22 179	hP120		120	2.49
C₈Cs	CsC₈	P6₂22 180	hP27		27	3.00
CeO₄P	Rhadophane	P6₂22 180	hP18		18	4.22
CrSi₂	CrSi₂ (C40)	P6₂22 180	hP9	C40	9	4.98
Hg₂INaO₂	Hg₂O₂NaI	P6₂22 180	hP18		18	7.50
Mg₂Ni	Mg₂Ni (C_a)	P6₂22 180	hP18	Ca	18	3.46
O₂Si	β	P6₂22 180	hP9	C8	9	2.53
AlLiO₄Si	β-Eucryptite	P6₄22 181	hP84		84	2.35
AlO₄P	β-Berlinite	P6₄22 181	hP18		18	2.62
Au₂C₄CoN₄	Co[Au	P6₄22 181	hP66		66	4.35
O₂Si	β	P6₄22 181	hP9	C8	9	2.53
Al₂BaO₄	BaAl₂O₄	P6₃22 182	hP18	H28	18	4.61
Al₅W	WAl₅	P6₃22 182	hP12		12	5.74
Co₂Na₂O₆Te	Na₂Co₂TeO₆	P6₃22 182	hP44		44	7.83
CoNb₃S₆	CoNb₃S₆	P6₃22 182	hP20		20	5.14
Fe₃C	Bainite (Fe₃C)	P6₃22 182	hP8		8	6.96
ILiO₃	E2₃	P6₃22 182	hP10	E23	10	4.52
PbTa₂S₆	PbTa₂S₆	P6₃22 182	hP20		20	7.36
AuCN	AuCN	P6mm 183	hP3		3	7.33
CrFe₃NiSn₅	CrFe₃NiSn₅	P6mm 183	hP6		6	8.03
Ta₂₁Te₁₃	Ta₂₁Te₁₃	P6mm 183	hP136		136	10.69
Al₆C₉NO₂₄P₆		P6cc 184	hP110		110	2.31
AlO₄P	AlPO₄-5	P6cc 184	hP72		72	1.76
NaP₃S₁₂Ti₂	NaTi₂	P6cc 184	hP188		188	2.42
AsNa₃	Na₃As	P6₃cm 185	hP24		24	2.38
Cl₃KNi	KNiCl₃	P6₃cm 185	hP30		30	2.85
Cl₃Ru	β-RuCl₃	P6₃cm 185	hP8		8	3.75
Cu₃P	Cu₃P	P6₃cm 185	hP24		24	7.37
LuMnO₃	LuMnO₃	P6₃cm 185	hP30		30	7.72
O₂₄Os_6.3Sr₈	Sr₈Os_6.3O₂₄	P6₃cm 185	hP118		118	8.35
Pd₅Sb₂	Stibiopalladinite (Pd₅Sb₂)	P6₃cm 185	hP42		42	11.15
Al₂N₂Ti₂	Ti₃Al₂N₂	P6₃mc 186	hP22		22	6.43
Al₅C₃N	Al₅C₃N (E9₄)	P6₃mc 186	hP18	E94	18	3.05
Al₇C₃N₃	Al₇C₃N₃	P6₃mc 186	hP26		26	4.66
AlO₄P	Hexagonal high-temperature tridymite AlPO₄: AB4C_hP12_186_b_bc_b-001	P6₃mc 186	hP12		12	2.16
BaCaO₄Si	BaCaSiO₄	P6₃mc 186	hP56		56	4.85
Be₄NaSbO₇	Swedenborgite	P6₃mc 186	hP26	E92	26	4.30
BH₄Li	High-temperature LiBH₄ structure: AB4C_hP12_186_b_bc_b-002	P6₃mc 186	hP12		12	0.65
Bi₂O₃	HPC-Bi₂O₃	P6₃mc 186	hP20		20	10.41
BN	Original BN (B12) Structure ( Obsolete ): AB_hP4_186_b_a-001	P6₃mc 186	hP4	B12	4	2.25
Br(H₂O)₉NdO₉	Nd	P6₃mc 186	hP44	G22	44	2.21
C	Buckled Graphite	P6₃mc 186	hP4		4	2.22
Ca₅Pb₃	Ca₅Pb₃	P6₃mc 186	hP48		48	5.10
CdClHO	Cd	P6₃mc 186	hP8	E03	8	4.60
CdI₂	C27 (CdI₂) Structure ( Questionable ): AB2_hP6_186_b_ab-001	P6₃mc 186	hP6	C27	6	5.71
Ce₂₄Co₁₁	Ce₂₄Co₁₁	P6₃mc 186	hP70		70	7.67
ClH₆LiO₇	LiClO₄·3H₂O	P6₃mc 186	hP30	H418	30	1.89
CoLiO₂	O4-LiCoO₂	P6₃mc 186	hP16		16	5.03
CoLiO₂	O2-LiCoO₂	P6₃mc 186	hP8		8	5.01
CSi	Moissanite-4H SiC	P6₃mc 186	hP8	B5	8	3.21
Fe₃Th₇	Fe₃Th₇ (D10₂)	P6₃mc 186	hP20	D102	20	11.52
GaGeLi	LiGaGe Crystal	P6₃mc 186	hP6		6	4.86
GaSe	δ-GaSe	P6₃mc 186	hP16		16	5.06
Mo₃O₈Zn₂	Zn₂Mo₃O₈	P6₃mc 186	hP26		26	6.34
NbS	Low Temperature Nb_1-xS	P6₃mc 186	hP16		16	6.66
SiC	Moissanite-6H SiC (B6)	P6₃mc 186	hP12	B6	12	3.21
SZn	Wurtzite	P6₃mc 186	hP4	B4	4	4.08
AgC₂Li	LiAgC₂	P6̅m2 187	hP4		4	3.48
As₃Cr₃K₂	Cr-233 Quasi-One-Dimensional Superconductor	P6̅m2 187	hP16		16	4.17
B₂InTi₂	Ti₂InB₂	P6̅m2 187	hP5		5	5.94
BaPtSb	BaPtSb	P6̅m2 187	hP3		3	8.67
Co₆LiP₄	LiCo₆P₄	P6̅m2 187	hP11		11	6.42
Cs₇O	Cs₇O	P6̅m2 187	hP24		24	2.26
CuI	β-CuI (Bührer-Hälg)	P6̅m2 187	hP6		6	7.31
CW	Tungsten Carbide	P6̅m2 187	hP2	Bh	2	15.67
GaSe	ε-GaSe	P6̅m2 187	hP8		8	5.15
InNbS₂	InNbS₂	P6̅m2 187	hP4		4	5.73
InS₂Ta	InTaS₂	P6̅m2 187	hP4		4	9.21
NOTaZr	ZrTaNO	P6̅m2 187	hP4		4	11.24
NRe₃	Re₃N	P6̅m2 187	hP4		4	19.60
B₂Be₂O₇Sr₂	Sr₂Be₂B₂O₇	P6̅c2 188	hP26		26	3.73
BaSi₄O₉	BaSi₄O₉ (S3₂)	P6̅c2 188	hP28	S32	28	3.83
I₃LiSc	LiScI₃	P6̅c2 188	hP10		10	4.62
LaO₁₉Ta₇	LaTa₇O₁₉	P6̅c2 188	hP54		54	8.45
Al₈FeMg₃Si₆	π-FeMg₃Al₈Si₆	P6̅2m 189	hP18	E9b	18	2.82
Al₉FeMg₃Si₅	π-FeMg₃Al₉Si₅	P6̅2m 189	hP18		18	2.81
AlNiZr	ZrNiAl	P6̅2m 189	hP9		9	6.13
As₂CoZr₃	Zr₆CoAs₂: A2BC6_hP9_189_c_b_fg-002	P6̅2m 189	hP9		9	7.17
Au₇IP₁₀	Hexagonal Au₇P₁₀I	P6̅2m 189	hP18		18	8.22
Ca₅Ir₃O₁₂	Ca₅Ir₃O₁₂	P6̅2m 189	hP20		20	6.71
CrCsF₄	CsCrF₄	P6̅2m 189	hP18		18	4.18
F₆K₂U	beta₁-K₂UF₆	P6̅2m 189	hP9		9	5.12
Fe₂P	Barringerite (Revised Fe₂P, C22) Crystal	P6̅2m 189	hP9	C22	9	6.91
Ga₂Mn₃SiTb₃	Tb₃Mn₃Ga₂Si	P6̅2m 189	hP9		9	7.43
NaO	NaO	P6̅2m 189	hP12		12	2.60
Pd₅Th₃	Th₃Pd₅	P6̅2m 189	hP8		8	11.75
CCeFO₃	Bastnäsite [CeF	P6̅2c 190	hP36	G71	36	5.10
CsO₃S	CsSO₃	P6̅2c 190	hP20	K12	20	3.54
Er₂RhSi₃	Er₂RhSi₃	P6̅2c 190	hP24		24	8.03
FeS	Troilite (FeS)	P6̅2c 190	hP24		24	4.83
Ge₅Sm₃	α-Sm₃Ge₅	P6̅2c 190	hP16		16	7.67
Li₂Sb	Li₂Sb	P6̅2c 190	hP18		18	3.79
Al₃Zr₄	Zr₄Al₃	P6/mmm 191	hP7		7	5.37
Al₉BaFe₂	BaFe₂Al₉	P6/mmm 191	hP12		12	3.75
AlB₂	Hexagonal ω	P6/mmm 191	hP3	C32	3	3.17
AlB₄Mg	AlB₄Mg	P6/mmm 191	hP6		6	2.91
As₄ClKO₆	Lucabindiite	P6/mmm 191	hP12		12	3.68
Be₁₂Ti	D2_a	P6/mmm 191	hP13	D2a	13	2.28
CaCu₅	CaCu₅ (D2_d)	P6/mmm 191	hP6	D2d	6	6.51
CoSn	CoSn (B35)	P6/mmm 191	hP6	B35	6	8.61
Cu₂Te	Cu₂Te (C_h)	P6/mmm 191	hP6	Ch	6	7.51
Fe₆Ge₆Hf	HfFe₆Ge₆	P6/mmm 191	hP13		13	8.90
Fe₆Ge₆Li	LiFe₆Ge₆	P6/mmm 191	hP39		39	7.29
H₂₄LaSc₂	Predicted LaSc₂H₂₄ Superconducting	P6/mmm 191	hP27		27	6.75
HgSn_6-10	Simple Hexagonal (HgSn_6-10 A_f)	P6/mmm 191	hP1	Af	1	7.42
KSb₅V₃	KV₃Sb₅	P6/mmm 191	hP9		9	5.73
Li₃N	Li₃N	P6/mmm 191	hP4		4	1.29
N₃TaTi₂	Ti₂TaN₃	P6/mmm 191	hP6		6	8.57
O₃W	Hexagonal WO₃	P6/mmm 191	hP12		12	6.42
Al₂Be₃O₁₈Si₆	Beryl	P6/mcc 192	hP58	S31	58	2.64
Al₃KMg₂O₁₅Si₁₂	Osumilite	P6/mcc 192	hP96		96	2.59
AlO₄P	Disordered	P6/mcc 192	hP72		72	1.71
AlO₄P	AlPO₄-54	P6₃/mcm 193	hP108		108	1.41
BO₃Tm	Ordered TmBO₃	P6₃/mcm 193	hP30		30	6.95
F₃La	D0₆	P6₃/mcm 193	hP24	D06	24	6.11
Ga₄Ti₅	Ti₅Ga₄	P6₃/mcm 193	hP18		18	5.90
Ga₇Ir₅Yb₆	Yb₆Ir₅Ga₇	P6₃/mcm 193	hP36		36	13.07
La₃Sb₅Ti	La₃TiSb₅: A3B5C_hP18_193_g_dg_b-001	P6₃/mcm 193	hP18		18	7.22
Mn₅Si₃	Mavlyanovite (Mn₅Si₃, D8₈)	P6₃/mcm 193	hP16	D88	16	5.99
Al₂₃V₄	Al₂₃V₄	P6₃/mmc 194	hP54		54	3.14
Al₂O₃	β-Alumina (D5₆, Al₂O₃)	P6₃/mmc 194	hP60	D56	60	3.37
Al₃Pu	Hexagonal PuAl₃	P6₃/mmc 194	hP24		24	6.94
Al₅Co₂	Co₂Al₅	P6₃/mmc 194	hP28	D811	28	4.36
Al₉Mn₃Si	Al₉Mn₃Si (E9_c)	P6₃/mmc 194	hP26	E9c	26	3.82
AlCCr₂	AlCCr₂	P6₃/mmc 194	hP8		8	5.23
AlN₃Ti₄	AlN₃Ti₄	P6₃/mmc 194	hP16		16	4.78
AsNa₃	Na₃As	P6₃/mmc 194	hP8	D018	8	2.37
AsNi	Nickeline	P6₃/mmc 194	hP4	B81	4	7.76
AsTi	AsTi (B_i)	P6₃/mmc 194	hP8	Bi	8	5.79
B₂BaPt₃	Ba_xPt₃B₂	P6₃/mmc 194	hP12		12	14.27
B₂Re	ReB₂	P6₃/mmc 194	hP6		6	12.67
B₃Re	ReB₃	P6₃/mmc 194	hP8		8	13.34
B₅W₂	W₂B₅	P6₃/mmc 194	hP14	D8h	14	13.11
Ba₃CoIr₂O₉	Hexagonal Ba₃CoIr₂O₉	P6₃/mmc 194	hP30		30	8.07
Ba₆Nd₂O₁₇Ti₄	Ba₆Nd₂Ti₄O₁₇	P6₃/mmc 194	hP58		58	5.62
BaLi₄	BaLi₄	P6₃/mmc 194	hP30		30	1.78
BaMnO₃	4H BaMnO₃	P6₃/mmc 194	hP20		20	6.29
BaNiO₃	BaNiO₃	P6₃/mmc 194	hP10		10	6.22
BaO₃Ti	Hexagonal BaTiO₃	P6₃/mmc 194	hP30		30	5.86
BCLi	LiBC	P6₃/mmc 194	hP6		6	2.13
Be₃N₂	β-Be₃N₂	P6₃/mmc 194	hP10		10	2.70
BGdO₃	High Temperature GdBO₃	P6₃/mmc 194	hP10		10	5.69
BN	BN (B_k)	P6₃/mmc 194	hP4	Bk	4	2.28
BO₃Y	Disordered YBO₃	P6₃/mmc 194	hP18		18	6.17
BrCu₄FH₆O₆	Barlowite [Cu₄FBr	P6₃/mmc 194	hP40		40	5.40
C	Hexagonal Graphite	P6₃/mmc 194	hP4	A9	4	2.26
C	Lonsdaleite	P6₃/mmc 194	hP4		4	3.50
C	Hypothetical Tetrahedrally Bonded Carbon with 3-Member Rings Model	P6₃/mmc 194	hP6		6	2.84
C₄Co₃W₉	Co₃W₉C₄	P6₃/mmc 194	hP32		32	12.04
Ca₂O₄Si	Hexagonal α-Ca₂SiO₄	P6₃/mmc 194	hP32		32	5.82
CaIn₂	CaIn₂	P6₃/mmc 194	hP6		6	5.57
CCaO₃	Hexagonal Vaterite	P6₃/mmc 194	hP26		26	5.83
Ce₂Ni₇	Ce₂Ni₇	P6₃/mmc 194	hP36		36	8.72
CeH₉	CeH₉	P6₃/mmc 194	hP20		20	8.17
CeNi₃	CeNi₃	P6₃/mmc 194	hP24		24	8.87
Cl₉Cr₂Cs₃	Cs₃Cr₂Cl₉	P6₃/mmc 194	hP28		28	3.37
CMo	CMo	P6₃/mmc 194	hP12		12	9.38
Co₂LiNaO₄	OP4-LiNaCo₂O₄	P6₃/mmc 194	hP18		18	5.58
Co₃V	VCo₃	P6₃/mmc 194	hP24		24	8.43
CoGa₃Lu₂	Lu₂CoGa₃	P6₃/mmc 194	hP24		24	9.27
CoNa_0.74O₂	Na_0.74CoO₂	P6₃/mmc 194	hP10		10	6.02
CoOSr	SrCoO: ABC_hP6_194_a_b_c-001	P6₃/mmc 194	hP6		6	4.93
Cr₃SiU₂	U₂Cr₃Si	P6₃/mmc 194	hP12		12	11.66
CuFeO₂	Hexagonal Delafossite (CuFeO₂)	P6₃/mmc 194	hP8		8	5.07
CuS	Covellite (CuS, B18)	P6₃/mmc 194	hP12	B18	12	4.25
EuIn₂P₂	EuIn₂P₂	P6₃/mmc 194	hP10		10	5.80
Fe₁₂O₁₉Pb	Magnetoplumbite	P6₃/mmc 194	hP64		64	5.69
Fe₂N	L'3₀ (approximate Fe₂N)	P6₃/mmc 194	hP4	L'30	4	7.93
Fe₃GeTe₂	Fe₃GeTe₂	P6₃/mmc 194	hP12		12	7.30
GaSe	β-GaSe	P6₃/mmc 194	hP8		8	5.08
H₁₀Hf	Proposed 300 GPa HfH₁₀	P6₃/mmc 194	hP22		22	12.92
H₂Na₂O₉Si₂Zr	S3₄	P6₃/mmc 194	hP36	S34(II)	36	2.58
InNi₂	InNi₂ (B8₂)	P6₃/mmc 194	hP6	B82	6	9.91
La	α-La (A3')	P6₃/mmc 194	hP4	A3'	4	6.18
LiO	LiO	P6₃/mmc 194	hP8		8	2.33
LiZn₂	LiZn₂ (C_k)	P6₃/mmc 194	hP4	Ck	4	5.81
Mg	Hexagonal Close Packed (Mg, A3, hcp)	P6₃/mmc 194	hP2	A3	2	1.74
Mg₄Sr	SrMg₄	P6₃/mmc 194	hP90		90	2.04
MgNi₂	MgNi₂ Hexagonal Laves (C36)	P6₃/mmc 194	hP24	C36	24	5.90
MgZn₂	MgZn₂ Hexagonal Laves (C14)	P6₃/mmc 194	hP12	C14	12	5.09
MoNiP₂	NiMoP₂	P6₃/mmc 194	hP8		8	5.42
MoS₂	Molybdenite (MoS₂, C7)	P6₃/mmc 194	hP6	C7	6	5.00
Na₁₃Pb₅	Na₁₃Pb₅ (γ-NaPb)	P6₃/mmc 194	hP36		36	4.17
Na₉Pb₄	Na₉Pb₄ (δ'-NaPb)	P6₃/mmc 194	hP26		26	4.37
NbS₂	Hexagonal High-Temperature NbS₂	P6₃/mmc 194	hP6		6	4.57
NbSe₂	Low Temperature NbSe₂	P6₃/mmc 194	hP24		24	6.51
Ni₁₇Th₂	Th₂Ni₁₇	P6₃/mmc 194	hP38		38	9.83
Ni₃Sn	Ni₃Sn (D0₁₉)	P6₃/mmc 194	hP8	D019	8	9.49
Ni₃Ti	Ni₃Ti (D0₂₄)	P6₃/mmc 194	hP16	D024	16	7.96
O₂Si	β-Tridymite	P6₃/mmc 194	hP12	C10	12	2.18
Pt₂Sn₃	Pt₂Sn₃ (D5_b)	P6₃/mmc 194	hP10	D5b	10	11.61
S₂SnTa	SnTaS₂	P6₃/mmc 194	hP8		8	7.31
Sn₅Ti₆	Hexagonal Ti₆Sn₅	P6₃/mmc 194	hP22		22	6.98

Cubic (281)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms	ρ (g/cm³)
As₇Cd₈Cl	Cd₈As₇Cl	P23 195	cP20		20	8.26
P₁₂PrRu₄	PrRu₄P₁₂	P23 195	cP34		34	5.87
Al₁₀Ca₁₄O₃₅Zn₆	Ca₁₄Zn₆Al₁₀O₃₅	F23 196	cF260		260	3.45
C₆Cu₂FeN₆	Cu₂Fe[CN]₆	F23 196	cF60		60	2.19
Li₂₂Si₅	Li₂₂Si₅	F23 196	cF432		432	1.18
Al₆O₁₆SSr₄	High-Temperature Sr₄Al₆O₁₆S	I23 197	cI86		86	5.33
Bi₂O₃	γ-Bi₂O₃	I23 197	cI66		66	9.32
Ga₄Ni	Ga₄Ni	I23 197	cI40		40	7.49
Hf₁₀S₃Ta₃	Hf₁₀Ta₃S₃	I23 197	cI64		64	12.65
AlNaO₄Si	α-Carnegieite	P2₁3 198	cP28	S65	28	2.36
CaNa₂O₄Si	Na₂CaSiO₄	P2₁3 198	cP32	S66	32	2.83
ClF₃Sn₂	Sn₂F₃Cl	P2₁3 198	cP24		24	4.55
CO	α-CO (B21)	P2₁3 198	cP8	B21	8	1.04
CsO₆W₂	Low Temperature CsW₂O₆	P2₁3 198	cP72		72	7.21
Cu₂O₄Se	Cubic Cu₂OSeO₃	P2₁3 198	cP56		56	5.05
FeSi	FeSi (B20)	P2₁3 198	cP8	B20	8	6.17
H₃N	Ammonia	P2₁3 198	cP16	D01	16	0.84
K₂Mg₂O₁₂S₃	Langbeinite [K₂Mg₂	P2₁3 198	cP76		76	2.82
N	α-N (P2₁3)	P2₁3 198	cP8		8	1.03
NaClO₃	Sodium Chlorate (NaClO₃, G0₃)	P2₁3 198	cP20	G03	20	2.49
NiSSb	Ullmanite (NiSSb, F0₁)	P2₁3 198	cP12	F01	12	6.94
O₄SnW	β-SnWO₄	P2₁3 198	cP24		24	6.26
O₈W₂Zr	Low-Temperature ZrW₂O₈	P2₁3 198	cP44		44	5.08
Cl₂Hg₃S₂	Corderoite	I2₁3 199	cI28		28	6.85
CoU	CoU (B_a)	I2₁3 199	cI16	Ba	16	15.37
NO₂	C26_a (NO₂) ( Obsolete )	I2₁3 199	cI36	C26a	36	1.95
Al₂₀Ni₃Ru₅	C-AlRuNi (Al₂₀Ni₃Ru₅)	Pm3̅ 200	cP31		31	4.87
CsHgN₃O₆	CsHgN₃O₆	Pm3̅ 200	cP11		11	4.77
H₁₂Li	Theoretical Cubic LiH₁₂	Pm3̅ 200	cP13		13	1.44
Mg₂Zn₁₁	Mg₂Zn₁₁ (D8_c)	Pm3̅ 200	cP39	D8c	39	6.12
Bi₃O₁₁Ru₃	Bi₃Ru₃O₁₁	Pn3̅ 201	cP68		68	9.13
Br₇KW₃	KW₃Br₇	Pn3̅ 201	cP90		90	5.86
Cd₃₇Ce₆	Ce₆Cd₃₇	Pn3̅ 201	cP188		188	9.16
Cl₇CuMo₃	CuMo₃Cl₇	Pn3̅ 201	cP88		88	3.82
KO₃Sb	KSbO₃	Pn3̅ 201	cP60		60	4.76
B₆H₆K	KB₆H₆	Fm3̅ 202	cF104		104	1.22
C	FCC C₆₀ Buckminsterfullerene	Fm3̅ 202	cF240		240	1.65
CoK₃N₆O₁₂	K₃Co	Fm3̅ 202	cF88	J24	88	2.63
CuF₆Zr	α-CuZrF₆	Fm3̅ 202	cF56		56	5.08
AsRb₃Se₁₆	Rb₃AsSe₁₆	Fd3̅ 203	cF160		160	4.58
C₂ClCoNa₃O₆	Pyrochlore	Fd3̅ 203	cF208		208	2.75
C₄Mg₂Na₆O₁₆S	Tychite	Fd3̅ 203	cF232		232	2.58
Al₁₂W	Al₁₂W	Im3̅ 204	cI26		26	3.87
AlMg₃₂Zn₄₈	Bergman [Mg₃₂	Im3̅ 204	cI162	D8e	162	4.61
As₃Co	Skutterudite	Im3̅ 204	cI32	D02	32	6.85
Be₁₇Ru₃	Ru₃Be₁₇	Im3̅ 204	cI160		160	4.16
Br₃(CH₃)(NH₃)Pb	High Pressure Phase II	Im3̅ 204	cI56		56	4.25
CaCu₃Mn₄O₁₂	CaCu₃Mn₄O₁₂	Im3̅ 204	cI40		40	5.62
Cd₆Y	YCd₆	Im3̅ 204	cI184		184	9.00
IrSrO₃	β-SrIrO₃ Perovskite	Im3̅ 204	cI90		90	13.38
LaFe₄P₁₂	LaFe₄P₁₂	Im3̅ 204	cI34		34	5.07
Mn₇NaO₁₂	NaMn₇O₁₂	Im3̅ 204	cI40		40	5.09
NO₂	Modern C26 (NO₂)	Im3̅ 204	cI36	C26	36	2.01
Al₂Ca₃O₆	Ca₃Al₂O₆	Pa3̅ 205	cP264		264	3.03
Al₈O₂₁Pb₉	Al₈Pb₉O₂₁	Pa3̅ 205	cP152		152	6.88
AlC₂H₃₆N₂O₂₀S₂	β-Alum [Al	Pa3̅ 205	cP252	H414	252	1.78
AlH₂₄KO₂₀S₂	α-Alum [KAl	Pa3̅ 205	cP224	H413	224	2.24
AlH₂₄NaO₂₀S₂	γ-Alum [AlNa	Pa3̅ 205	cP192	H415	192	1.67
B₂CaO₄	CaB₂O₄	Pa3̅ 205	cP84		84	3.43
B₃H₁₂Y	Room-Temperature Y	Pa3̅ 205	cP128		128	1.39
Br₂(H₂O)₆O₆Zn	Zn	Pa3̅ 205	cP60	J110	60	1.98
Br₂H₁₂MgO₁₂	Mg	Pa3̅ 205	cP108	J110	108	2.29
C	Simple Cubic C₆₀ Buckminsterfullerene	Pa3̅ 205	cP240		240	1.73
C₂N	Hexacyanobenzene (C₂N)	Pa3̅ 205	cP72		72	1.21
ClCu	SC16	Pa3̅ 205	cP16		16	4.98
Cr(H₂O)₁₂NaO₈S₂	NaCr	Pa3̅ 205	cP96		96	0.97
F₆NaSb	NaSbF₆	Pa3̅ 205	cP32		32	3.14
FeS₂	Pyrite (FeS₂, C2)	Pa3̅ 205	cP12	C2	12	5.01
I₄Sn	SnI₄	Pa3̅ 205	cP40		40	4.51
N	α-N (Pa3̅)	Pa3̅ 205	cP8		8	1.03
N₂(NH₃)₆NiO₆	H6₄ [Ni	Pa3̅ 205	cP60	H64	60	1.35
N₂O₆Pb	Pb	Pa3̅ 205	cP36	G21	36	4.53
O₈W₂Zr	High-Temperature ZrW₂O₈	Pa3̅ 205	cP60		60	8.59
P₂O₇Zr	ZrP₂O₇	Pa3̅ 205	cP40	K61	40	3.19
AlLi₃N₂	AlLi₃N₂ (E9_d)	Ia3̅ 206	cI96	E9d	96	2.38
Mn₂O₃	Bixbyite (Mn₂O₃, D5₃)	Ia3̅ 206	cI80	D53	80	5.07
O₈Te₃Zr	ZrTe₃O₈	Ia3̅ 206	cI96		96	5.53
Si	BC8 (Si)	Ia3̅ 206	cI16		16	10.67
NO₃Rb	RbNO₃	P432 207	cP33		33	11.34
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	P432 207	cP64		64	8.33
C₆Cs₂FeN₆Zn	Cs₂ZnFe[CN]₆	P4₂32 208	cP64		64	3.23
H₃P	H₃P	P4₂32 208	cP16		16	0.90
Na₁₁O₁₆U₅	Na₁₁U₅O₁₆	P4₂32 208	cP64		64	6.49
C₁₄CuH₈O₅	PCN-20 [C₁₄CuO	F432 209	cF1344		1344	0.49
F₆KP	KPF₆	F432 209	cF104		104	7.62
B₁₂H₃₆MgO₁₂	MgB₁₂H₁₂[H₂O]₁₂	F4₁32 210	cF488		488	1.15
H₆O₆Te	Te[OH]₆	F4₁32 210	cF608		608	3.24
O₂Si	Hypothetical Cubic SiO₂	I432 211	cI72		72	2.63
BLi₂Pt₃	Li₂Pd₃B	P4₃32 212	cP24		24	7.42
C₇V₈	V₈C₇	P4₃32 212	cP60		60	5.63
Fe₂O₃	γ-Fe₂O₃ (D5₇)	P4₃32 212	cP60	D57	60	5.37
Fe₅LiO₈	{alpha}-LiFe₅O₈	P4₃32 212	cP56		56	4.75
Ge₃Li₂NiO{5}	Li₂NiGe₃O₅	P4₃32 212	cP56		56	5.08
Si₂Sr	SrSi₂	P4₃32 212	cP12		12	3.41
Al₂CMo₃	Al₂Mo₃C	P4₁32 213	cP24		24	7.34
Co₈Mn₃Zn₉	Co₈Zn₉Mn₃	P4₁32 213	cP20		20	8.11
CuO₆SrTe₂	SrCuTe₂O₆	P4₁32 213	cP120		120	5.20
Mg₃Ru₂	Mg₃Ru₂	P4₁32 213	cP20		20	5.48
Mn	β-Mn (A13)	P4₁32 213	cP20	A13	20	7.25
Ag₃AuTe₂	Petzite (Ag₃AuTe₂)	I4₁32 214	cI48		48	9.21
Ca₃I₃P	Ca₃PI₃	I4₁32 214	cI56		56	3.78
La₃Rh₄Sn₁₃	La₃Rh₄Sn₁₃	I4₁32 214	cI320		320	8.51
Al₄Cu₉	γ-brass	P4̅3m 215	cP52	D83	52	6.84
AsCu₃S₄	Cubic Lazarevićite (AsCu₃S₄)	P4̅3m 215	cP8		8	4.44
CFe₄	Fe₄C	P4̅3m 215	cP5		5	6.70
Cu₃S₄V	Sulvanite (Cu₃S₄V, H2₄)	P4̅3m 215	cP8	H24	8	3.92
Ni₂Tm	Intermediate Temperature TmNi₂	P4̅3m 215	cP24		24	10.63
NV	VN	P4̅3m 215	tP8		8	6.13
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	P4̅3m 215	cP64		64	8.33
AgAsMg	Half–Heusler (AgAsMg, C1_b)	F4̅3m 216	cF12	C1b	12	5.66
Al₁₃ClF₁₈O₂₀Si₅	Zunyite [Al₁₃	F4̅3m 216	cF228	S08	228	2.96
Al₁₃Cr₄Si₄	Al₁₃Cr₄Si₄	F4̅3m 216	cF84		84	3.43
AlN	Theoretical cF40 AlN	F4̅3m 216	cF40		40	2.48
AlO₄P	β	F4̅3m 216	cF56		56	4.45
AuBe₅	AuBe₅ (C15_b)	F4̅3m 216	cF24	C15b	24	7.08
AuLiMgSn	Quaternary Heusler	F4̅3m 216	cF16		16	8.53
Ba₃In₂O₁₁Zn₅	Ba₃In₂Zn₅O₁₁	F4̅3m 216	cF168		168	6.38
Cd₄₅Sm₁₁	Sm₁₁Cd₄₅	F4̅3m 216	cF448		448	8.73
ClKO₄	High-Temperature Cubic KClO₄	F4̅3m 216	cF24	H05	24	2.19
Cr₄Ga₁₇Pt	Cubic Cr₄PtGa₁₇	F4̅3m 216	cF88		88	7.22
Cr₄GaLiO₈	LiGaCr₄O₈	F4̅3m 216	cF56		56	—
Cu₄₁Sn₁₁	δ-Cu₄₁Sn₁₁	F4̅3m 216	cF416		416	9.01
Cu₄MgSn	Cu₄SnMg	F4̅3m 216	cF24		24	7.55
CuHg₂Ti	Hg₂TiCu Inverse Heusler	F4̅3m 216	cF16		16	14.60
F₁₆O₄₀Ti₁₂Y₆Zn₅	Murataite [	F4̅3m 216	cF316		316	4.79
GaMo₄S₈	Room Temperature GaMo₄S₈	F4̅3m 216	cF52		52	5.12
Gd₄InRh	Gd₄RhIn	F4̅3m 216	cF96		96	8.73
Li₁₇Pb₄	Li₁₇Pb₄	F4̅3m 216	cF420		420	4.03
Ni₂Tm	Low Temperature TmNi₂	F4̅3m 216	cF192		192	10.73
Pt₃Zn₁₀	Pt₃Zn₁₀	F4̅3m 216	cF392		392	11.22
SZn	Zincblende	F4̅3m 216	cF8	B3	8	4.09
Al₁₂Mg₁₇	Mg₁₇Al₁₂	I4̅3m 217	cI58		58	2.09
AlN	Theoretical cI16 AlN	I4̅3m 217	cI16		16	2.59
AsCu₁₂S₁₃	Tennantite	I4̅3m 217	cI82		82	7.13
Ba₄Ga₈Sn₁₅	α-Ba₈Ga₁₆Sn₃₀ Clathrate	I4̅3m 217	cI54		54	6.00
Cu₅Zn₈	γ-Brass (Cu₅Zn₈, D8₂)	I4̅3m 217	cI52	D82	52	8.01
F₄Si	SiF₄	I4̅3m 217	cI10	D12	10	2.13
Mn	α-Mn (A12)	I4̅3m 217	cI58	A12	58	7.48
S₄Tl₃V	Tl₃VS₄	I4̅3m 217	cI16		16	6.21
Ag₃O₄P	Ag₃	P4̅3n 218	cP16	H21	16	6.35
Al₃ClNa₄O₁₂Si₃	Sodalite [Na₄	P4̅3n 218	cP46	S62	46	2.30
Al₆Ca_2.4K_1.6Na₄O₃₀S_1.5Si₆	Hauyne [	P4̅3n 218	cP76	S69	76	4.21
BHO₂	γ-HBO₂	P4̅3n 218	cP96		96	2.49
GeK	KGe	P4̅3n 218	cP64		64	2.84
Li₇MnN₄	Li₇MnN₄	P4̅3n 218	cP96		96	2.43
B₇ClMg₃O₁₃	Boracite	F4̅3c 219	cF192		192	2.94
C₁₆Co₄O₁₆Sn	Sn[Co	F4̅3c 219	cF296		296	2.08
Cl₈Si₃	Si₃Cl₈	F4̅3c 219	cF176		176	1.87
Al₁₄Ca₁₂O₃₃	Mayenite	I4̅3d 220	cI152	K74	152	3.76
AlN	Theoretical cI24 AlN	I4̅3d 220	cI24		24	3.27
AlO₉P₃	Al	I4̅3d 220	cI208	G52	208	2.77
Au₃Sb₄Y₃	Y₃Au₃Sb₄	I4̅3d 220	cI40		40	9.44
Bi₄O₁₂Si₃	Eulytine	I4̅3d 220	cI76	S15	76	6.79
C₃Pu₂	Pu₂C₃	I4̅3d 220	cI40	D5c	40	12.93
Cu₁₅Si₄	Cu₁₅Si₄ (D8₆)	I4̅3d 220	cI76	D86	76	7.71
Li	High-pressure cI16 Li	I4̅3d 220	cI16		16	1.26
P₄Th₃	Th₃P₄	I4̅3d 220	cI28	D73	28	8.56
(NH₄)(NO₃)	NH₄NO₃ I	Pm3̅m 221	cP2	G08	2	0.55
Al₂Ca₃O₆	Ca₃Al₂O₆	Pm3̅m 221	cP33	E91	33	3.04
AuCu₃	Bogdanovite	Pm3̅m 221	cP4	L12	4	12.23
B₆Ca	CaB₆	Pm3̅m 221	cP7	D21	7	2.45
BaHg₁₁	BaHg₁₁ (D2_e)	Pm3̅m 221	cP36	D2e	36	13.20
Br₃CH₆NPb	Room Temperature Perovskite CH₃NH₃PbBr₃	Pm3̅m 221	cP172		172	7.22
CaH₁₂Y	Predicted High-Pressure YCaH₁₂	Pm3̅m 221	cP14		14	5.60
CaTiO₃	Cubic Perovskite (CaTiO₃, E2₁)	Pm3̅m 221	cP5	E21	5	4.13
Ce₈Pd₂₄Sb	Ce₈Pd₂₄Sb	Pm3̅m 221	cP33		33	10.41
ClCs	CsCl	Pm3̅m 221	cP2	B2	2	4.12
CrFe₁₁MoNi₃	Model of Ferrite Structure	Pm3̅m 221	cP16		16	8.24
CrFe₂₇MoNi₃	Model of Austenite Structure	Pm3̅m 221	cP32		32	8.72
Fe₄N	γ'-Fe₄N (L'1₀)	Pm3̅m 221	cP5	L'10	5	7.24
Fe₄N	Erroneous L'1₀	Pm3̅m 221	cP5	L'10	5	7.24
NbO	NbO	Pm3̅m 221	cP6		6	7.27
O₃Re	α-ReO₃	Pm3̅m 221	cP4	D09	4	7.47
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	Pm3̅m 221	cP64		64	8.33
Po	α-Po (A_h, simple cubic)	Pm3̅m 221	cP1	Ah	1	9.31
S₃U₄	S₃U₄	Pm3̅m 221	cP7		7	10.52
C₄CoH₄O₆	Co	Pn3̅n 222	cP360		360	1.91
Ce₅Mo₃O₁₆	Ce₅Mo₃O₁₆	Pn3̅n 222	cP96		96	6.01
F₁₀₈H₂₄O₁₁Ti₂₄	'Ti₆F₂₇(H₃O)₃' [F₁₀₈H₂₄O₁₁Ti₂₄]	Pn3̅n 222	cP334		334	2.22
Mo₃Nd₅O₁₆	Nd₅Mo₃O₁₆	Pn3̅n 222	cP144		144	14.89
B₃C₃Sr	SrB₃C₃ Clathrate	Pm3̅n 223	cP14		14	5.29
Ba₃C₆₀	A15 Fullerene (Ba₃C₆₀)	Pm3̅n 223	cP126		126	2.58
Ba₄Ga₈Sn₁₅	β-Ba₈Ga₁₆Sn₃₀ Clathrate	Pm3̅n 223	cP72		72	8.33
Cl₂Hg₃S₂	β-Hg₃S₂Cl₂	Pm3̅n 223	cP224		224	6.80
Cr₃Si	Cr₃Si (A15)	Pm3̅n 223	cP8	A15	8	6.46
F₂	β-F₂	Pm3̅n 223	cP8		8	0.85
H₃U	β-UH₃	Pm3̅n 223	cP32		32	10.94
NaO₄Pt₃	NaPt₃O₄	Pm3̅n 223	cP16		16	12.12
Rh₄Sn₁₃Yb₃	Yb₃Rh₄Sn₁₃	Pm3̅n 223	cP40		40	9.07
Si	Si₄₆ Clathrate	Pm3̅n 223	cP46		46	1.93
(Ag_1.48Cu_1.44Fe_0.32)Te₂	Henryite [(Ag_1.48Cu_1.44Fe_0.32)Te₂]	Pn3̅m 224	cP12		12	8.10
(H₂O)₅O₄₀PW₁₂	12-phosphotungstic acid [H₃PW₁₂O₄₀·5H₂O]	Pn3̅m 224	cP116	H416	116	5.35
(H₃O)₃O₄₀PW₁₂	PW₁₂O₄₀·3H₃O	Pn3̅m 224	cP112		112	5.90
Cu₂O	Cuprite (Cu₂O, C3)	Pn3̅m 224	cP6	C3	6	6.12
H₁₅O₄₆PW₁₂	Dodecatungstophosphoric Acid Hexahydrate	Pn3̅m 224	cP184		184	5.26
Mg₃P₂	Mg₃P₂ (D5₅)	Pn3̅m 224	cP10	D55	10	2.17
AlCu₂Mn	Heusler	Fm3̅m 225	cF16	L21	16	6.59
AlF₆H₁₂N₃		Fm3̅m 225	cF200	J21	200	6.09
B₁₂U	UB₁₂	Fm3̅m 225	cF52	D2f	52	5.87
Ba₂MnO₆W	Double Perovskite	Fm3̅m 225	cF40		40	7.35
BH₄K	Room Temperature KBD₄	Fm3̅m 225	cF40		40	—
Bi₂O₃	δ-Bi₂O₃	Fm3̅m 225	cF36		36	12.35
BiF₃	Gananite (BiF₃, D0₃)	Fm3̅m 225	cF16	D03	16	8.81
C₁₂Cu₃Fe₂(H₂O)_xN₁₂	Cu₃[Fe	Fm3̅m 225	cF96	J25	96	5.04
C₆₀K₃	fcc Fullerene	Fm3̅m 225	cF492		492	3.58
C₆Cr₂₃	Cr₂₃C₆	Fm3̅m 225	cF116	D84	116	6.97
Ca₇Ge	Ca₇Ge	Fm3̅m 225	cF32		32	2.78
CaF₂	Fluorite (CaF₂, C1)	Fm3̅m 225	cF12	C1	12	3.18
Cl₆K₂Pt	K₂PtCl₆	Fm3̅m 225	cF36	J11	36	3.51
ClFNa₆O₈S₂	Sulphohalite [Na₆ClF	Fm3̅m 225	cF72	H58	72	2.49
ClNa	Rock Salt/Halite	Fm3̅m 225	cF8	B1	8	2.16
Co₉S₈	Co₉S₈ (D8₉)	Fm3̅m 225	cF68	D89	68	5.34
Cr₉Fe₁₆Ni₇	Model of Ferrite Structure	Fm3̅m 225	cF128		128	7.78
CrFe₁₈MoNi₈	Model of Austenite Structure	Fm3̅m 225	cF108		108	8.61
Cu	Face-Centered Cubic (Cu, A1, fcc)	Fm3̅m 225	cF4	A1	4	8.94
Cu₁₆Mg₆Si₇	Mg₆Si₇Cu₁₆	Fm3̅m 225	cF116		116	5.68
Cu₂Se	High Temperature Cu₂Se	Fm3̅m 225	cF76		76	40.38
Cu₅FeS₄	Intermediate Temperature Bornite	Fm3̅m 225	cF256		256	19.14
CuF₆Zr	α'-CuZrF₆	Fm3̅m 225	cF32		32	3.55
CuPt₃	L1_a (disputed CuPt₃ Structure): AB7_cF32_225_a_bd-001	Fm3̅m 225	cF32	L1a	32	54.05
H₁₀La	LaH₁₀ High-T_c Superconductor	Fm3̅m 225	cF44		44	9.06
I₄Rb₃Re₃S₄	Rb₃Re₃S₄I₄	Fm3̅m 225	cF112		112	5.13
Mg₆MnO₈	Mg₆MnO₈	Fm3̅m 225	cF60		60	3.71
Mn₂₃Th₆	Th₆Mn₂₃	Fm3̅m 225	cF116	D8a	116	8.98
Ag₁₃O₆Os	Ag₁₃OsO₆	Fm3̅c 226	cF160		160	9.82
B₃H₁₂Y	High-Temperature Y	Fm3̅c 226	cF128		128	1.33
Cu₈Ge₃K₄S₁₂	K₄Cu₈Ge₃S₁₂	Fm3̅c 226	cF232		232	3.21
Mo₇Sn₁₂Zn₄₀	Zn₄₀Mo₇Sn₁₂	Fm3̅c 226	cF944		944	7.60
NaZn₁₃	NaZn₁₃ (D2₃)	Fm3̅c 226	cF112	D23	112	6.26
Al₁₀V	Al₁₀V	Fd3̅m 227	cF176		176	2.75
Al₁₈Cr₂Mg₃	Mg₃Cr₂Al₁₈	Fd3̅m 227	cF184		184	2.87
Al₂MgO₄	Spinel (Al₂MgO₄, H1₁)	Fd3̅m 227	cF56	H11	56	3.58
AlH₃	β-Alane	Fd3̅m 227	cF64		64	—
C	T-Carbon	Fd3̅m 227	cF32		32	1.50
C	Diamond	Fd3̅m 227	cF8	A4	8	3.57
C₂ClMgNa₃O₆	G7₃ [Na₃MgCl	Fd3̅m 227	cF208	G73	208	2.38
C₄Mg₂Na₆O₁₆S	H5₆ [Tychite, Na₆Mg₂SO₄	Fd3̅m 227	cF232	H56	232	2.58
CFe₃W₃	η-carbide	Fd3̅m 227	cF112	E93	112	14.25
Co₂OTi₄	Ti₄Co₂O	Fd3̅m 227	cF112		112	6.06
Co₃O₄	Spinel (Co₃O₄, D7₂)	Fd3̅m 227	cF56	D72	56	6.06
CTi₂	Ti₂C	Fd3̅m 227	cF48		48	4.50
Cu₂Mg	Cu₂Mg Cubic Laves (C15)	Fd3̅m 227	cF24	C15	24	5.81
CuPt	Cubic CuPt [L1₃(I), D4]	Fd3̅m 227	cF32	L13(I)	32	18.18
Dy₅Pd₂	Dy₅Pd₂	Fd3̅m 227	cF144		144	14.49
Eu₂Ir₂O₇	Pyrochlore Iridate (Eu₂Ir₂O₇, E8₁)	Fd3̅m 227	cF88	E81	88	9.83
Ga₂O₃	γ-Ga₂O₃	Fd3̅m 227	cF120		120	19.75
Ge₁₇Na₃	Na_24-δGe₁₃₆ Clathrate	Fd3̅m 227	cF160		160	4.70
H₁₆Li₂Mg	Predicted Li₂MgH₁₆ High-T_c Superconductor	Fd3̅m 227	cF152		152	2.38
H₃(H₂O)₂₉O₄₀PW₁₂	H₃PW₁₂O₄₀·29H₂O	Fd3̅m 227	cF656	H421	656	3.06
NaTl	NaTl (B32)	Fd3̅m 227	cF16	B32	16	7.21
NiTi₂	NiTi₂	Fd3̅m 227	cF96		96	5.72
O₂Sb	D6₂	Fd3̅m 227	cF96	D62	96	7.61
O₂Si	Ideal β-Cristobalite	Fd3̅m 227	cF24	C9	24	2.17
O₃Sb₂	Senarmontite	Fd3̅m 227	cF80	D61	80	5.58
Si	Si₃₄ Clathrate	Fd3̅m 227	cF136		136	1.93
Zn₂₂Zr	Zn₂₂Zr	Fd3̅m 227	cF184		184	7.25
AlFe₈H₁₈K₂O₆₆S₁₂	Voltaite	Fd3̅c 228	cF2096		2096	3.02
Cl₅CrCuH₁₈N₆	CuCrCl₅[NH₃]₆	Fd3̅c 228	cF416		416	1.81
H₆O₆Te	Te[OH]₆ Structure	Fd3̅c 228	cF224		224	3.20
AgI	α-AgI (B23)	Im3̅m 229	cI44	B23	44	62.28
CaH₆	High Pressure Cubic CaH₆	Im3̅m 229	cI14		14	3.57
Ce₃Ni₆Si₂	Ce₃Ni₆Si₂	Im3̅m 229	cI44		44	7.59
CrFe₁₂Ni₃	Model of Austenite Structure	Im3̅m 229	cI32		32	8.55
CrFe₄Ni₃	Model of Ferrite Structure	Im3̅m 229	cI16		16	7.93
Dy₆Fe₁₆O	Dy₆Fe₁₆O	Im3̅m 229	cI46		46	8.97
Fe₃Zn₁₀	γ-brass (Fe₃Zn₁₀, D8₁)	Im3̅m 229	cI52	D81	52	7.53
Ge₇Ir₃	Ir₃Ge₇	Im3̅m 229	cI40	D8f	40	10.81
H₃S	High-pressure (200GPa) H₃S	Im3̅m 229	cI8		8	4.38
Hg₄Pt	β-Hg₄Pt	Im3̅m 229	cI10		10	14.02
N₂W	Hypothetical SiO₂-like WN₂ structure: A2B_cI36_229_h_d-001	Im3̅m 229	cI36		36	3.66
O₄Pt₃	Pt₃O₄	Im3̅m 229	cI14		14	8.93
Sb₂Tl₇	Sb₂Tl₇ (L2₂)	Im3̅m 229	cI54	L22	54	10.64
W	Body-Centered Cubic (W, A2, bcc)	Im3̅m 229	cI2	A2	2	19.44
Al₂Ca₃H₁₂O₁₂	Ca₃Al₂	Ia3̅d 230	cI232	J23	232	2.53
Al₂Co₃O₁₂Si₃	Garnet [S1₄, Co₃Al₂	Ia3̅d 230	cI160	S14	160	4.47
Al₅O₁₂Y₃	Y₃Al₅O₁₂ Garnet	Ia3̅d 230	cI160		160	4.53
BCsO₆Si₂	Boropollucite [Cs	Ia3̅d 230	cI160		160	3.78
Bi₄Rh	RhBi₄	Ia3̅d 230	cI120		120	11.25
Cl₅Zr₂	Zr₆Cl₁₅	Ia3̅d 230	cI336		336	3.03
Ga₃Ni₃Zn	Ga₃Ni₃Zn	Ia3̅d 230	cI112		112	8.02
Ga₄Ni₃	Ga₄Ni₃	Ia3̅d 230	cI112		112	8.13

Not offered as filters (no validated metadata is stored for prototypes, so they would only produce false matches): material class, packing type, structural dimensionality, bonding type, applications, experimental/calculated provenance, DOI/source, coordination number. Density IS offered: it is the crystallographic density computed from the cell contents with standard atomic weights, not a measured bulk value. Each structure page cites its AFLOW entry; download availability is uniform (every structure has a JSON coordinate file).

Source: AFLOW Encyclopedia of Crystallographic Prototypes (aflow.org). Symmetry diagrams and Wyckoff assignments on each page are computed here from the group operations.