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 77 teaching structures with full 3D models are on the Crystal Lab home.

Triclinic (31)

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

Monoclinic (350)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
Co₃O₁₄P₂Pb₃Te	Pb₃TeCo₃P₂O₁₄	P121 3	mP138		138
F₇KYb₂	β-KYb₂F₇	P121 3	mP10		10
Mo₅O₁₆U	Monoclinic UMo₅O₁₆	P121 3	mP22		22
O₂Si	Predicted SiO₂	P121 3	mP12		12
AlO₄P	Monoclinic tridymite	P1211 4	mP12		12
AlO₄P	AlPO₄-41	P1211 4	mP60		60
BiPd	α-BiPd	P1211 4	mP16		16
C₁₂H₂₂O₁₁	D-Sucrose (C₁₂H₂₂O₁₁)	P1211 4	mP90		90
C₆H₁₄O₇	α-D-Glucose Monohydrate	P1211 4	mP54		54
Ca₃O₆U	Ca₃UO₆	P1211 4	mP20		20
FeLi₂O₄Si	Monoclinic	P1211 4	mP32		32
H₂Li₂O₅S	Li₂SO₄cdotH₂O	P1211 4	mP20	H48	20
H₅K₂O₈P₂	Monoclinic KH₂PO₄	P1211 4	mP68		68
O₁₁P₄W₄	W₂O₃	P1211 4	mP60		60
Te	High-pressure Te	P1211 4	mP4		4
Al₁₇Mo₄	Al₁₇Mo₄	C121 5	mC84		84
AlCl₃	D0₁₅ (AlCl₃) Structure ( Obsolete ): AB3_mC16_5_c_3c-001	C121 5	mC16	D015	16
AlO₄P	Monoclinic AlPO₄-53	C121 5	mC72		72
As₂Nb	NbAs₂	C121 5	mC12		12
BaCCaO₃		C121 5	mC10		10
Bi₄O₁₁V₂	α-Bi₄V₂O₁₁	C121 5	mC112		112
Ca(H₂O)_{0.5}O₄S	Bassanite [CaSO₄	C121 5	mC90	H47	90
CaCu₆O₁₈P₄Rb₂	Rb₂CaCu₆	C121 5	mC62		62
CrPS₄	CrPS₄	C121 5	mC24		24
Po	A19 Po Structure ( Obsolete ): A_mC12_5_3c-001	C121 5	mC12	A19	12
STl	High Temperature Monoclinic TlS	C121 5	mC256		256
FeNi	Tetrataenite (FeNi)	P1m1 6	mP4		4
Mo₈P₅	Mo₈P₅	P1m1 6	mP13		13
Ta₅Ti₁₁	Ta₅Ti₁₁ (BCC SQS-16)	P1m1 6	mP16		16
AlO₄P	Monoclinic tridymite	P1c1 7	mP288		288
As₂Ba	BaAs₂	P1c1 7	mP18		18
AuTe₂	Calaverite (AuTe₂)	P1c1 7	mP12		12
BaF₄Zn	High Pressure BaZnF₄	P1c1 7	mP24		24
Bi₄O₁₂Ti₃	Monoclinic Bi₄Ti₃O₁₂ m = 3 Aurivillius	P1c1 7	mP38		38
Ca₆Na₂O₁₅Si₄	Na₂Ca₆Si₄O₁₅	P1c1 7	mP54		54
CrCuP₂S₆	α-CuCrP₂S₆	P1c1 7	mP40		40
Ga₉Rh₂	Rh₂Ga₉	P1c1 7	mP22		22
H₂S	H₂S IV	P1c1 7	mP12		12
Mo₈O₂₃	Low Temperature Mo₈O₂₃	P1c1 7	mP124		124
O₃W	ε-WO₃	P1c1 7	mP16		16
Al₁₃Co₄	Monoclinic Co₄Al₁₃	C1m1 8	mC102		102
Al₄W	Al₄W	C1m1 8	mC30		30
BiMn₇O₁₂	Monoclinic BiMn₇O₁₂	C1m1 8	mC40		40
CuLa₂O₄	Base-Centered Monoclinic La₂CuO₄	C1m1 8	mC28		28
KNO₂	F5₁₁ (KNO₂) Structure ( Obsolete ): ABC2_mC8_8_a_a_b-001	C1m1 8	mC8	F511	8
O₃PbZr	Monoclinic PZT [Pb	C1m1 8	mC10		10
TaTi₃	TaTi₃-I (BCC SQS-16)	C1m1 8	mC32		32
TaTi₃	TaTi₃-II (BCC SQS-16)	C1m1 8	mC32		32
Al₂H₄O₉Si₂	Nacrite [Al₂Si₂O₅	C1c1 9	mC68	S54	68
Cd₄GeS₆	GeCd₄S₆	C1c1 9	mC44		44
ClH₃	H₃Cl	C1c1 9	mC16		16
Cs₆O₃₆W₁₁	Cs₆W₁₁O₃₆	C1c1 9	mC212		212
CuInP₂S₆	CuInP₂S₆	C1c1 9	mC44		44
Ga₂Se₃	Room Temperature Ga₂Se₃	C1c1 9	mC20		20
In₂Te₅	In₂Te₅ (I)	C1c1 9	mC28		28
LiO₄PZn	α-LiZnPO₄	C1c1 9	mC224		224
Mg₃O₅(OH)₄Si₂	Chrysotile [Mg₃Si₂O₅	C1c1 9	mC56		56
N₅P₃	α-P₃N₅	C1c1 9	mC32		32
O₂Si	Monoclinic	C1c1 9	mC144		144
AgAuTe₂	Muthmannite	P12/m1 10	mP8		8
BFe_{1.315}Mg_{0.56}O₅Sn_{0.1}	Hulsite [	P12/m1 10	mP18		18
C	S-carbon	P12/m1 10	mP8		8
C₂CaO₄	β-CaC₂O₄	P12/m1 10	mP28		28
Cl₂Pd	δ-Pd₂Cl	P12/m1 10	mP6		6
ClH₃	H₃Cl	P12/m1 10	mP16		16
LiSn	α-LiSn	P12/m1 10	mP6		6
As₂EuFe	EuFeAs₂	P121/m1 11	mP8		8
AsO₄Sb	SbAsO₂	P121/m1 11	mP12		12
BaC₂CaO₆	Barytocalcite	P121/m1 11	mP20		20
Bi₈K₂Se₁₃	β-K₂Bi₈Se₁₃	P121/m1 11	mP46		46
C₂HO₂	Squaric Acid	P121/m1 11	mP20		20
CaSb₂	CaSb₂	P121/m1 11	mP6		6
ClKO₃	KClO₃	P121/m1 11	mP10	G06	10
Ho₂S₃	Ho₂S₃	P121/m1 11	mP30		30
HO₂Y	YO	P121/m1 11	mP6		6
K₂O₅S₂	K₂S₂O₅	P121/m1 11	mP18	K01	18
Li₇Sn₃	Li₇Sn₃	P121/m1 11	mP20		20
Mo₂S₃	Mo₂S₃	P121/m1 11	mP10		10
NbPt₃	β-NbPt₃	P121/m1 11	mP16		16
NbSe₃	NbSe₃	P121/m1 11	mP24		24
NiTi	NiTi	P121/m1 11	mP4		4
O₇Si₂Y₂	Yttrialite	P121/m1 11	mP22		22
Pt₆Si₅	Pt₆Si₅	P121/m1 11	mP22		22
Pu	α-Pu	P121/m1 11	mP16		16
Se₃Zr	ZrSe₃	P121/m1 11	mP8		8
(H₂O)Mg₆O₁₁(OH)₆Si₄	Chrysotile [Mg₆O₁₁Si₄	C12/m1 12	mC112	S45	112
Ag₃Ir₂LiO₆	Ag₃LiIr₂O₆	C12/m1 12	mC24		24
Al₁₃Fe₄	Al₁₃Fe₄	C12/m1 12	mC102		102
Al₁₃Os₄	Os₄Al₁₃	C12/m1 12	mC34		34
Al₄₅V₇	Al₄₅V₇	C12/m1 12	mC104		104
Al₅Fe₂H₂O₁₂Si₂	Staurolite	C12/m1 12	mC84		84
Al₈Mo₃	Al₈Mo₃	C12/m1 12	mC22		22
AlCl₃	AlCl₃	C12/m1 12	mC16		16
AlCu	CuAl	C12/m1 12	mC20		20
AlKO₈Si₃	Sanidine	C12/m1 12	mC52	S67	52
AlLiO₂	Predicted ζ-LiAlO₂	C12/m1 12	mC24		24
AlNbO₄	AlNbO₄	C12/m1 12	mC24		24
As₂Te₃	α-As₂Te₃	C12/m1 12	mC20		20
As₃Mo₂	Mo₂As₃	C12/m1 12	mC20		20
AsPd₅	Pd₅As	C12/m1 12	mC24		24
AsSi	SiAs	C12/m1 12	mC24		24
Au₁₁Mn₃	Au₁₁Mn₃	C12/m1 12	mC28		28
Au₂P₃	Au₂P₃	C12/m1 12	mC20		20
Au₅Mn₂	Au₅Mn₂	C12/m1 12	mC14		14
AuTe₂	Calaverite (AuTe₂, C34)	C12/m1 12	mC6	C34	6
BaIrO₃	β-BaIrO₃ Perovskite	C12/m1 12	mC50		50
BaIrO₃	α-BaIrO₃ Perovskite	C12/m1 12	mC60		60
BaMn₂O₄	Hollandite (BaMn₂O₄)	C12/m1 12	mC26		26
BaO₃Pb	α-BaPbO₃ Perovskite	C12/m1 12	mC20		20
Bi₂Pd	α-Bi₂Pd	C12/m1 12	mC12		12
BiI	β-BiI	C12/m1 12	mC16		16
BiI	γ-BiI	C12/m1 12	mC16		16
BiI	α-BiI	C12/m1 12	mC32		32
BiNi	NiBi	C12/m1 12	mC66		66
BrCGd	GdCBr	C12/m1 12	mC12		12
C	M-carbon	C12/m1 12	mC16		16
C₂Ca	CaC₂-III	C12/m1 12	mC12		12
C₄RhSc₃	Sc₃RhC₄	C12/m1 12	mC32		32
Ca₂H₂Mg₅O₂₄Si₈	Tremolite	C12/m1 12	mC82	S42	82
Cl₂Cu	Tolbachite	C12/m1 12	mC6		6
Cl₂H₁₂MgO₆	Bischofite	C12/m1 12	mC42	J17	42
Cl₃Gd₂	Gd₂Cl₃	C12/m1 12	mC20		20
ClHg₃IS₂	Radtkeite	C12/m1 12	mC56		56
ClZr	Monoclinic ZrCl	C12/m1 12	mC8		8
Co₂Ge₄Pr₅	Pr₅Co₂Ge₄	C12/m1 12	mC40		40
CoGe	CoGe	C12/m1 12	mC16		16
CoZn₁₃	CoZn₁₃	C12/m1 12	mC28		28
Cr₃S₄	Brezinaite (Cr₃S₄)	C12/m1 12	mC14		14
Cr₅Se₈Tl	TlCr₅Se₈	C12/m1 12	mC28		28
Cr₇Se₈	Cr₇Se₈	C12/m1 12	mC30		30
Cu₂O₅S	Dolerophanite [Cu₂O	C12/m1 12	mC32		32
F₇Ho₂K	α-KHo₂F₇	C12/m1 12	mC80		80
FeSe₂Tl	Monoclinic FeTlSe₂	C12/m1 12	mC16		16
Ga₂O₃	β-Ga₂O₃	C12/m1 12	mC20		20
Ge₂Os	OsGe₂	C12/m1 12	mC12		12
H₃LiO₂	LiOHcdotH₂O	C12/m1 12	mC24	B36	24
H₈K₂MnO₁₂S₂	Manganese-leonite [K₂Mn	C12/m1 12	mC112	H423	112
HgO₂	α-HgO₂	C12/m1 12	mC6		6
K₂O₅Ti₂	K₂Ti₂O₅	C12/m1 12	mC18		18
Li₂MnO₃	Li₂MnO₃	C12/m1 12	mC24		24
Li₃O₆SbZn₂	Li₃Zn₂SbO₆	C12/m1 12	mC24		24
MgZn₅	D2₂ (MgZn₅?) Structure ( Problematic ): AB5_mC48_12_2i_ac5i2j-001	C12/m1 12	mC48	D22	48
Mn₇O₁₂Pr	PrMn₇O₁₂	C12/m1 12	mC40		40
MnPS₃	MnPS₃	C12/m1 12	mC20		20
Na₂O₇U₂	β-Na₂U₂O₇	C12/m1 12	mC44		44
NaNiO₂	Monoclinic NaNiO₂	C12/m1 12	mC8		8
Nb₁₂O₂₉	Monoclinic Nb₁₂O₂₉	C12/m1 12	mC82		82
Nb₂Se	Nb₂Se	C12/m1 12	mC24		24
Nb₇P₄	Nb₇P₄	C12/m1 12	mC44		44
NbTe₂	NbTe₂	C12/m1 12	mC18		18
Ni₃Sn₄	δ-Ni₃Sn₄ (D7_{a})	C12/m1 12	mC14	D7a	14
Ni₄Pu	PuNi₄	C12/m1 12	mC30		30
NiO₂	NiO₂	C12/m1 12	mC6		6
NiO₆Sr₂Te	Sr₂NiTeO₆	C12/m1 12	mC40		40
NSr	SrN	C12/m1 12	mC16		16
O	α-O₂	C12/m1 12	mC4		4
O₆PbV₂	Metastable PbV₂O₆	C12/m1 12	mC36		36
O₇Sc₂Si₂	Thortveitite	C12/m1 12	mC22	S21	22
PdSe₆Ta₂	Ta₂PdSe₆	C12/m1 12	mC18		18
Pu	β-Pu	C12/m1 12	mC34		34
Rh₃S₄	Rh₃S₄: A3B4_mC42_12_ahij_2i2j-001	C12/m1 12	mC42		42
RuU₂	RuU₂	C12/m1 12	mC12		12
S₇Y₅	Y₅S₇	C12/m1 12	mC24		24
S₈V₅	V₅S₈	C12/m1 12	mC26		26
AgAuTe₄	Sylvanite (AgAuTe₄, E1_{b})	P12/c1 13	mP12	E1b	12
AgCrP₂S₆	AgCrP₂S₆	P12/c1 13	mP20		20
Ba₃CoIr₂O₉	Monoclinic (II) Ba₃CoIr₂O₉	P12/c1 13	mP60		60
ClCu₄O₆V	β-Cu₄O₂	P12/c1 13	mP24		24
CuPt₂S₄	Cu	P12/c1 13	mP28		28
H₂S	H₂S (15 GPa)	P12/c1 13	mP12		12
InNaO₈W₂	NaIn	P12/c1 13	mP24		24
IPSn	SnIP	P12/c1 13	mP42		42
MgO₄W	Huanzalaite	P12/c1 13	mP12	H06	12
Mo₈O₂₃	Approximate High Temperature Mo₈O₂₃	P12/c1 13	mP62		62
O₅V₃	Room Temperature V₃O₅	P12/c1 13	mP32		32
P	Monoclinic (Hittorf's) Phosphorus	P12/c1 13	mP84		84
S	Rosickýite (γ-monoclinic Sulfur)	P12/c1 13	mP32		32
(NH₄)O₄S	Ammonium Persulfate [	P121/c1 14	mP24	K41	24
Ag₂S	Acanthite (Ag₂S)	P121/c1 14	mP12		12
Ag₃S₃Sb	Pyrostilpnite	P121/c1 14	mP28		28
AgC₁₀H₄N₄	Ag	P121/c1 14	mP152		152
AgCuO₄P	α-AgCuPO₄	P121/c1 14	mP28		28
AgMnO₄	AgMnO₄ (H0₉)	P121/c1 14	mP24	H09	24
AgTe₂Tl₃	AgTe₂Tl₃	P121/c1 14	mP24		24
Al₂H₉O₁₁NP₂		P121/c1 14	mP100		100
Al₃C₄HNO₁₃P₃		P121/c1 14	mP100		100
Al₉Co₂	Co₂Al₉	P121/c1 14	mP22		22
AlF₆Na₃	Cryolite	P121/c1 14	mP20	J26	20
As₂Nd	NdAs₂	P121/c1 14	mP12		12
As₂Rh₂Sr	α-SrRh₂As₂	P121/c1 14	mP20		20
As₂S₃	Orpiment (As₂S₃, D5_{f})	P121/c1 14	mP20	D5f	20
AsFeS	Arsenopyrite	P121/c1 14	mP12	E07	12
AsLi	LiAs	P121/c1 14	mP16		16
AsS	Pararealgar (AsS)	P121/c1 14	mP32		32
AsS	Realgar (AsS, B_{l})	P121/c1 14	mP32	Bl	32
AsS₂Tl	Lorándite	P121/c1 14	mP32		32
AuBr₄(H₂O)₂K	KAuBr₄cdot2H₂O	P121/c1 14	mP32	H419	32
AuBr₄K	Anhydrous KAuBr₄	P121/c1 14	mP24		24
B₂H₆	P2_1/c -B₂H₆	P121/c1 14	mP16		16
B₂H₆	β-B₂H₆	P121/c1 14	mP16		16
Ba₄Ir₃O₁₀	Ba₄Ir₃O₁₀	P121/c1 14	mP34		34
BHO₂	Clinometaborite	P121/c1 14	mP48		48
Bi₂MoO₆	High temperature Bi₂MoO₆	P121/c1 14	mP144		144
Bi₂O₃	α-Bi₂O₃	P121/c1 14	mP20		20
C₂Cu₃H₂O₈	Azurite [Cu₃	P121/c1 14	mP30	G74	30
C₂CuNa₂O₆	Juangodoyite [Na₂Cu	P121/c1 14	mP22		22
C₃₀H₃₀N₈O₈Zn	[Zn₂(Benzoato)₄(Caffeine)₂]cdot2 -- Caffeine (C₃₀H₃₀N₈O₈Zn)	P121/c1 14	mP308		308
C₃H₆O	Propanal (C₃H₆O)	P121/c1 14	mP40		40
C₄K₂N₄Ni	K₂Ni	P121/c1 14	mP22		22
C₆Cl₆	ε-1,2,3,4,5,6-Hexachloro cyclo hexane (C₆Cl₆)	P121/c1 14	mP24		24
C₆H₄K₂N₆O₂PtS₆	K₂Pt	P121/c1 14	mP54		54
C₇H₅N₃O₆	Monoclinic 2-4-6 Trinitrotoluene (C₇H₅N₃O₆)	P121/c1 14	mP168		168
C₇H₈	α-Toluene (C₇H₈)	P121/c1 14	mP120		120
Ca₂O₄Si	Larnite	P121/c1 14	mP28		28
Ca₂O₅U	Ca₂UO₅	P121/c1 14	mP32		32
Ca₂O₇P₂	α-Ca₂P₂O₇	P121/c1 14	mP44		44
CaO₃Si	Parawollastonite	P121/c1 14	mP60	S33(II)	60
CdCuO₆Se₂	CdCu	P121/c1 14	mP40		40
CdP₄	CdP₄	P121/c1 14	mP10		10
Ce₇Ge₂Pd₄	Ce₇Pd₄Ge₂	P121/c1 14	mP52		52
CH₄N₂O₂	N-Hydroxyurea (CH₄N₂O₂)	P121/c1 14	mP36		36
CHNaO₃	Nahcolite	P121/c1 14	mP24	G012	24
Cl₂Hg₃O₂	HgCl₂cdot2HgO	P121/c1 14	mP14		14
Cl₂O₅Sb₄	Sb₄O₅Cl₂	P121/c1 14	mP22		22
Cl₂Pd	γ-PdCl₂	P121/c1 14	mP6		6
Cl₃CuK	Sanguite	P121/c1 14	mP20		20
Cl₄(H₂O)IK	KICl₄cdotH₂O	P121/c1 14	mP28	H010	28
Cl₆K₂Sn	Phase I K₂SnCl₆	P121/c1 14	mP18		18
ClCsCu₅O₁₀V₂	Monoclinic Averievite [	P121/c1 14	mP40		40
ClCuHO	Cu	P121/c1 14	mP16		16
ClF₃	Monoclinic ClF₃	P121/c1 14	mP32		32
ClI	α-ICl	P121/c1 14	mP16		16
Co₃Nd₄O₁₀	Nd₄Co₃O₁₀	P121/c1 14	mP68		68
Cr₂O₁₁Te₄	Cr₂Te₄O₁₁	P121/c1 14	mP34		34
CrTe₃	CrTe₃	P121/c1 14	mP32		32
Cs₁₁O₃	Cs₁₁O₃	P121/c1 14	mP56		56
Cu₂O₄Se	Monoclinic Cu₂OSeO₃	P121/c1 14	mP28		28
Cu₅O₁₀V₂	Stoiberite [Cu₅O₂	P121/c1 14	mP68		68
CuH₂₀N₂O₁₄S	Tutton salt [Cu	P121/c1 14	mP78	H44	78
CuNa₂O₇P₂	α-Na₂CuP₂O₇	P121/c1 14	mP48		48
CuO₄Te	CuTeO₄	P121/c1 14	mP24		24
Er₂O₇Si₂	Er₂Si₂O₇	P121/c1 14	mP22		22
ErLiO₂	β-LiErO₂	P121/c1 14	mP16		16
F₇K₂Nb	K₂NbF₇	P121/c1 14	mP40	K62	40
Fe₂O₁₂S₃	Monoclinic Fe₂	P121/c1 14	mP68		68
FeLi₂O₄Si	Monoclinic	P121/c1 14	mP32		32
GaPS₄	GaPS₄	P121/c1 14	mP24		24
Gd₂O₅Si	Gd₂SiO₅	P121/c1 14	mP32		32
GeNa	NaGe	P121/c1 14	mP32		32
H₁₁Ir₂Mg₆	Mg₆Ir₂H₁₁: A13B2C6_mP168_14_26e_4e_12e-001	P121/c1 14	mP168		168
H₈K₂MnO₁₂S₂	Manganese-leonite 110K [K₂Mn	P121/c1 14	mP100		100
HgMnO₃	HgMnO₃ HP1	P121/c1 14	mP20		20
K₃SnTe₃	K₃SnTe₃ (K₆Sn₂Te₆)	P121/c1 14	mP28		28
KNO₂	KNO₂ III	P121/c1 14	mP16		16
LaO₄P	Monasite	P121/c1 14	mP24		24
LiO₂Sm	δ-LiSmO₂	P121/c1 14	mP16		16
Mn₃O₆Te	High Pressure Mn₃TeO₆ Double Perovskite	P121/c1 14	mP20		20
MnHO₂	Manganite	P121/c1 14	mP16	E06	16
MnO₆Sr₂Te	Sr₂MnTeO₆	P121/c1 14	mP20		20
Na₂O₇U₂	α-Na₂U₂O₇	P121/c1 14	mP44		44
NS	NS	P121/c1 14	mP32		32
O₂Zr	Baddeleyite	P121/c1 14	mP12	C43	12
O₃Pb₂	Pb₂O₃	P121/c1 14	mP20		20
O₃TeTl₂	β-Tl₂TeO₃	P121/c1 14	mP24		24
O₃W	γ-WO₃	P121/c1 14	mP32		32
O₇Si₂Y₂	γ-Y₂Si₂O₇	P121/c1 14	mP24		24
OS₂Y₂	Y₂OS₂	P121/c1 14	mP20		20
P₂Zn	Monoclinic	P121/c1 14	mP24		24
PPd₆	Pd₆P	P121/c1 14	mP28		28
Pt₅Se₄	Luberoite (Pt₅Se₄)	P121/c1 14	mP18		18
S	β-monoclinic Sulfur	P121/c1 14	mP64		64
S₃Tl₄	Tl₄S₃	P121/c1 14	mP28		28
Se	β-Se (A_{l})	P121/c1 14	mP32	Al	32
Se	α-monoclinic Selenium	P121/c1 14	mP32		32
Se	α-Se (A_{k})	P121/c1 14	mP64	Ak	64
(H₂O)_{1.86}Mg₂O₅(OH)Si₂	Vermiculite [Mg₂Si₂O₅	C12/c1 15	mC104		104
(H₂O)₂Na₂O₉Si₃Zr	Catapleiite	C12/c1 15	mC144		144
Ag₂O₂Pb	Ag₂PbO₂	C12/c1 15	mC20		20
Ag₃AsS₃	Xanthoconite (Ag₃AsS₃)	C12/c1 15	mC56		56
AgAsS₂	Smithite (AgAsS₂)	C12/c1 15	mC96		96
AgS₂Sb	Miargyrite	C12/c1 15	mC32		32
Al₃H₂KO₁₂Si₃	Muscovite	C12/c1 15	mC76	S51	76
AlHO₆Si₂	Pyrophyllite [AlSi₂O₅	C12/c1 15	mC72	S56	72
AlO₄P	Calcined AlPO₄-18	C12/c1 15	mC144		144
AuSbTe	Pampaloite (AuSbTe)	C12/c1 15	mC24		24
B₂Pd₅	B₂Pd₅	C12/c1 15	mC28		28
B₃Ni₄	Monoclinic Ni₄B₃	C12/c1 15	mC28		28
Ba₃CoIr₂O₉	Monoclinic (I) Ba₃CoIr₂O₉ Perovskite	C12/c1 15	mC60		60
BaC₄(H₂O)₄N₄Ni	BaNi	C12/c1 15	mC56	H422	56
BaMnNa₂O₈V₄	Monoclinic Na₂BaMn	C12/c1 15	mC56		56
BeHNaO₈Si₃	Eudidymite (BeHNaO₈Si₃)	C12/c1 15	mC124		124
Br₂Pd	PdBr₂	C12/c1 15	mC12		12
C₂H₂N₂OS₂	Rhodan Hydrate	C12/c1 15	mC72		72
C₂H₂O₅Rb₂	Rb₂C₂O₄cdotH₂O	C12/c1 15	mC36		36
C₂Th	ThC₂	C12/c1 15	mC12		12
CaFeO₆Si₂	Esseneite	C12/c1 15	mC40		40
CaH₄O₆S	Gypsum	C12/c1 15	mC48	H46	48
CaMgO₆Si₂	Diopside [CaMg	C12/c1 15	mC40	S41	40
CaO₅SiTi	Titanite	C12/c1 15	mC32	S06	32
Cd₃H₁₆O₂₀S₃		C12/c1 15	mC168	H420	168
Cl₂Ni₅O₁₂Te₄	Ni₅	C12/c1 15	mC92		92
Cl₄SSm₂	Sm₂SCl₄	C12/c1 15	mC28		28
ClH₃	H₃Cl	C12/c1 15	mC16		16
CLi₂O₃	Zabuyelite	C12/c1 15	mC24		24
Co₃Lu₂Si₅	Lu₂Co₃Si₅	C12/c1 15	mC40		40
CoGeO₃	CoGeO₃	C12/c1 15	mC40		40
CrCuP₂S₆	β-CuCrP₂S₆	C12/c1 15	mC52		52
CrP₄	CrP₄	C12/c1 15	mC20		20
CrS	CrS	C12/c1 15	mC8		8
Cs₃GeTe₃	Cs₃GeTe₃ (Cs₆Ge₂Te₆)	C12/c1 15	mC56		56
Cu₂Mo₃O₁₂Rb₂	Rb₂Cu{2}	C12/c1 15	mC152		152
Cu₂Se	Low Temperature Cu₂Se	C12/c1 15	mC144		144
Cu₆Sn₅	η'-Cu₆Sn₅	C12/c1 15	mC44		44
CuNa₂O₇P₂	β-Na₂CuP₂O₇	C12/c1 15	mC48		48
CuO	Tenorite (CuO, B26)	C12/c1 15	mC8	B26	8
F₂	α-F₂	C12/c1 15	mC8		8
F₂Sn	α-SnF₂	C12/c1 15	mC48		48
Fe₂MnNaO₁₂P₃	Alluaudite [NaMnFe₂	C12/c1 15	mC76		76
Fe₇S₈	Monoclinic Pyrrhotite (Fe₇S₈)	C12/c1 15	mC60		60
FeKS₂	KFeS₂	C12/c1 15	mC16	F5a	16
FeLiO₂	beta'-LiFeO₂	C12/c1 15	mC32		32
FeLiO₈W₂	Wodginite	C12/c1 15	mC48		48
Ga	β-Ga Structure ( Obsolete ): A_mC4_15_e-001	C12/c1 15	mC4		4
Gd₂Mo₃O₁₂	α-Gd₂	C12/c1 15	mC68		68
H	H-III (300 GPa)	C12/c1 15	mC24		24
H₂LiN	Phase II LiNH₂	C12/c1 15	mC32		32
H₂O₄S	Sulfuric Acid	C12/c1 15	mC28		28
H₈K4₂MnO₁₂S₂	Manganese-leonite 185K [K₂Mn	C12/c1 15	mC200		200
In₂Te₅	In₂Te₅ (II)	C12/c1 15	mC84		84
IrSrO₃	α-SrIrO₃ Perovskite	C12/c1 15	mC60		60
KBrCu₅O₂(PO₄)₂	Averievite [	C12/c1 15	mC80		80
Li₂O₄W	Li₂WO₄	C12/c1 15	mC28		28
Mg₃O₅(OH)₄Si₂	Clinochlore [Mg₃	C12/c1 15	mC112	S55	112
MoO₁₁P₃Si	MoP₃SiO₁₁	C12/c1 15	mC128		128
Na₂O₃Pr	α-Na₂PrO₃	C12/c1 15	mC48		48
Na₃O₁₂PSi₂Zr₂	True Low Nasicon	C12/c1 15	mC92		92
NaSi	NaSi	C12/c1 15	mC32		32
Nb₂O₅	ζ-Nb₂O₅ (B-Nb₂O₅)	C12/c1 15	mC28		28
Nb₂O₆Sn	Foordite	C12/c1 15	mC36		36
NiSe₅Ta₂	Ta₂NiSe₅	C12/c1 15	mC32		32
NSe	NSe	C12/c1 15	mC32		32
O₂Sb	Clinocervantite	C12/c1 15	mC24		24
O₂Si	Coesite	C12/c1 15	mC48		48
O₄Os	OsO₄	C12/c1 15	mC20		20
O₅SiY₂	Y₂SiO₅	C12/c1 15	mC64		64
O₅V₃	Oxyvanite	C12/c1 15	mC32		32
O₇V₂Zn₂	α-Zn₂V₂O₇	C12/c1 15	mC44		44
PdP₂	PdP₂	C12/c1 15	mC12		12
S₄V	VS₄	C12/c1 15	mC40		40
STa₆	Ta₆S	C12/c1 15	mC56		56

Orthorhombic (575)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
AlPS₄	AlPS₄	P222 16	oP12		12
Mo₅O₁₆U	Orthorhombic UMo₅O₁₆	P222 16	oP23		23
Ag₂Se	α-Naumannite (Ag₂Se)	P2221 17	oP12		12
B₉CsO₁₄	CsB₉O₁₄	P2221 17	oP96		96
NaNbO₃	Ferroelectric NaNbO₃ P222₁ Lueshite Perovskite	P2221 17	oP40		40
AgClHgS	Capgaronnite [HgScdotAg	P21212 18	oP16		16
BaS₃	BaS₃ (original D0₁₇)	P21212 18	oP16		16
ClH₁₂N₅Zn	Diamminetriamidodizinc Chloride	P21212 18	oP40		40
O₂Te	γ-TeO₂ Structure	P21212 18	oP12		12
Ag₂Se	Nauminnite (Ag₂Se II)	P212121 19	oP12		12
Al₂FKO₉P₂	K[Al₂	P212121 19	oP64		64
Al₃CNO₁₄P₃	AlPO₄-53	P212121 19	oP176		176
AlCl₄Na	NaAlCl₄	P212121 19	oP24		24
C₄CaH₈O₇	Ca-Malate-dihydrate	P212121 19	oP80		80
CH₂O	β-Arabinose	P212121 19	oP80		80
CH₂O	Anhydrous α-D-Glucose	P212121 19	oP96		96
CH₂O	Anhydrous β-D-Glucose	P212121 19	oP96		96
Cl₃H	H₃Cl	P212121 19	oP16		16
F₂Sn	β-SnF₂	P212121 19	oP12		12
H₁₄NiO₁₁S	Morenosite	P212121 19	oP108	H412	108
H₂O₂Zn	Wülfingite	P212121 19	oP20	C31	20
H₂O₃Se	Selenous Acid	P212121 19	oP24		24
H₂O₄Se	Selenic Acid	P212121 19	oP28		28
H₆NO₄P	Ferroelectric	P212121 19	oP48		48
NaP	NaP	P212121 19	oP16		16
Nd₂O₇Si₂	Nd₂Si₂O₇	P212121 19	oP44		44
O₂Si	Orthorhombic Tridymite	P212121 19	oP72		72
O₇Re₂	Re₂	P212121 19	oP72		72
AlF₅Tl₂	K3₃	C2221 20	oC32	K33	32
AlO₄P	α	C2221 20	oC24		24
CrO₃	D0₇ (CrO₃) Structure ( Obsolete ): AB3_oC16_20_a_bc-001	C2221 20	oC16	D07	16
Cs₄Mo₅O₂₂P₂	Cs₄Mo₅P₂O₂₂: A4B5C22D2_oC132_20_abc_a2c_2a10c_c-001	C2221 20	oC132		132
Na₂Tl	Na₂Tl	C2221 20	oC48		48
O₂Si	α	C2221 20	oC24		24
O₇TaY₃	Y₃TaO₇	C2221 20	oC44		44
HoSb₂	HoSb₂	C222 21	oC6		6
HTa₂	Ta₂H	C222 21	oC6		6
Ni₉S₈	Godlevskite (Ni₉S₈)	C222 21	oC68		68
B₂CeRu₂	CeRu₂B₂	F222 22	oF40		40
FeS	Low temperature FeS	F222 22	oF8		8
BPS₄	BPS₄	I222 23	oI12		12
Cu₈Fe₂S₁₂Sn₂Zn	Stannoidite	I222 23	oI50		50
FeNaS₂	NaFeS₂	I222 23	oI16		16
H₃S	H₃S (5 GPa)	I222 23	oI32		32
AlF₇MgNa₂	Weberite	I212121 24	oI44		44
K₂PdSe₁₀	K₂PdSe₁₀	I212121 24	oI104		104
Ag₃Sb	Dyscrasite	Pmm2 25	oP4		4
CdTe	High-pressure CdTe	Pmm2 25	oP2		2
Au₅Zn₃	Metastable Au₅Zn₃	Pmc21 26	oP16		16
BaMn₂O₆Sm	Low Temperature SmBaMn₂O₆	Pmc21 26	oP40		40
H₂S	H₂S 70 GPa	Pmc21 26	oP12		12
O₂Se	β-SeO₂	Pmc21 26	oP12		12
O₂Se	γ-SeO₂	Pmc21 26	oP24		24
P₅Tl	TlP₅	Pmc21 26	oP24		24
Al₆Ca₄O₁₆S	Ca₄Al₆O₁₆S	Pcc2 27	oP108		108
AlO₄P	Orthorhombic AlPO₄-5	Pcc2 27	oP144		144
AuTe₂	Krennerite (AuTe₂)	Pma2 28	oP24		24
NbNiTe₂	NiNbTe₂	Pma2 28	oP16		16
AlCH₃₀NO₂₀S₂	Low Temperature	Pca21 29	oP220		220
AsCoS	Cobaltite	Pca21 29	oP12		12
Bi₂MoO₆	Koechlinite (Room temperature Bi₂MoO₆)	Pca21 29	oP36		36
C₇H₅N₃O₆	Orthorhombic 2-4-6 Trinitrotoluene (C₇H₅N₃O₆)	Pca21 29	oP168		168
Cu₅FeS₄	Low Temperature Bornite (Cu₅FeS₄)	Pca21 29	oP160		160
FeS₂	Low Temperature Pyrite (FeS₂)	Pca21 29	oP12		12
HgN₆	Mercury	Pca21 29	oP28		28
O₂Zr	ZrO₂	Pca21 29	oP12		12
Bi₅ClO₁₄PbTi₃	Room Temperature Bi₅PbTi₃O₁₄Cl	Pnc2 30	oP48		48
Bi₅O₁₅Nb₃	Bi₅Nb₃O₁₅	Pnc2 30	oP46		46
BrCuSe₃	Pnc2 CuBrSe₃	Pnc2 30	oP20		20
Al₁₃Co₄	Orthorhombic Co₄Al₁₃ Structure	Pmn21 31	oP102		102
AsCu₃S₄	Enargite (AsCu₃S₄, H2₅)	Pmn21 31	oP16	H25	16
AsCuPbS₃	Seligmannite	Pmn21 31	oP24		24
B₄O₇Sr	B₄SrO₇	Pmn21 31	oP24		24
BaBe₂O₇Si₂	Clinobarylite	Pmn21 31	oP24		24
Br₃CH₆NPb	High Pressure Phase III CH₃NH₃PbBr₃	Pmn21 31	mP138		144
Ca₂(H₂O)₆MgO₈	Mg	Pmn21 31	oP34	H411	34
CrHO₂	Guyanaite	Pmn21 31	oP8		8
IrNbTe₄	NbIrTe₄	Pmn21 31	oP24		24
Li₃O₄P	β-Li₃PO₄	Pmn21 31	oP16		16
O₅V₂	Shcherbinaite	Pmn21 31	oP14	D87	14
Te₂W	WTe₂	Pmn21 31	oP12		12
Gd₂Mo₃O₁₂	β'-Gd₂	Pba2 32	oP68		68
Mo₁₇O₄₇	Mo₁₇O₄₇	Pba2 32	oP128		128
O₁₃Re₂S₂	Re₂O₅	Pba2 32	oP34		34
Al₂O₃	κ alumina (Al₂O₃)	Pna21 33	oP40		40
AlCl₄Cu	β-CuAlCl₄	Pna21 33	oP24		24
AsK₃S₄	AsK₃S₄	Pna21 33	oP32		32
B₂CaO₄	CaB₂O₄	Pna21 33	oP84		84
B₄CsFO₆	CsB₄O₆F	Pna21 33	oP48		48
Ca₂O₄Si	alpha_{L}'-Ca₂SiO₄	Pna21 33	oP84		84
GaLiO₂	LiGaO₂	Pna21 33	oP16		16
Gd₂O₇Si₂	Possible δ-Gd₂Si₂O₇	Pna21 33	oP44		44
H₂LiO₅PZn	LiZnPO₄cdotH₂O	Pna21 33	oP40		40
ILiO₃	γ-LiIO₃	Pna21 33	oP20		20
LiO₄PZn	δ₁-LiZnPO₄	Pna21 33	oP28		28
NaFeO₂	β-NaFeO₂	Pna21 33	oP16		16
O₂Sb	Cervantite	Pna21 33	oP24		24
AgK₂S₄Sb	K₂AgSbS₄	Pnn2 34	oP32		32
Al₂Br₈Ti	TiAl₂Br₈	Pnn2 34	oP22		22
F_{1-x}H_{x}MnO_{x}	MnF_{1-x}	Pnn2 34	oP10		10
FeSb₂	FeSb₂	Pnn2 34	oP6		6
MoO₈V₂	V₂MoO₈	Cmm2 35	oC22		22
B₂O₃	Orthorhombic B₂O₃	Cmc21 36	oC20		20
BaBi₄O₁₅Ti₄	Low Temperature BaBi₄Ti₄O₁₅	Cmc21 36	oC96		96
BaF₄Zn	BaZnF₄	Cmc21 36	oC24		24
Be₄Si₂O₇(OH)₂	Bertrandite (Be₄Si₂O₇(OH)₂, S4₆)	Cmc21 36	oC60	S46	60
Bi₂GeO₅	Bi₂GeO₅	Cmc21 36	oC32		32
BiPd	β-BiPd	Cmc21 36	oC32		32
Br₂Hg	HgBr₂	Cmc21 36	oC12	C24	12
Ca₃O₇Ti₂	Ca₃Ti₂O₇	Cmc21 36	oC48		48
ClH	Low Temperature HCl	Cmc21 36	oC8		8
CuH₂O₂	Spertiniite [Cu	Cmc21 36	oC20		20
F₃NaO₈P₂V₂	Uncharged NaV₂	Cmc21 36	oC64		64
I₄Nb	α-NiI₄	Cmc21 36	oC40		40
K₂S₃	K₂S₃	Cmc21 36	oC20		20
KNO₃	α-Potassium Nitrate (KNO₃) Structure II: ABC3_oC80_36_2ab_2ab_2a5b-001	Cmc21 36	oC80		80
MoP₂	MoP₂	Cmc21 36	oC12		12
N₂OSi₂	Si₂N₂O	Cmc21 36	oC20		20
Ni₃Si₂	Ni₃Si₂	Cmc21 36	oC80		80
Bi₂Ca₂Cu₃O₁₀Sr₂	Bi₂Sr₂Ca₂Cu₃O_{10+x}	Ccc2 37	oC76		76
Li₂O₅Si₂	Li₂Si₂O₅	Ccc2 37	oC36		36
Au₂V	Au₂V	Amm2 38	oC12		12
BaO₃Ti	Orthorhombic BaTiO₃	Amm2 38	oC10		10
C₂CeNi	C₂CeNi	Amm2 38	oC8		8
FNaNb₆O₁₅	NaNb₆O₁₅F	Amm2 38	oC46		46
GdSn₃	GdSn₃	Amm2 38	oC16		16
O₇SiU	Weeksite	Amm2 38	oC36		36
Ta₃Ti₁₃	Ta₃Ti₁₃ (BCC SQS-16)	Amm2 38	oC32		32
Ta₃Ti₅	Ta₃Ti₅ (BCC SQS-16)	Amm2 38	oC32		32
Bi₂O₅Te	Smirnite	Aem2 39	oC64		64
Cl₉PV	VPCl₉	Aem2 39	oC44		44
Ge₂Li₂O₅	Li₂	Aem2 39	oC36		36
S₂Ta₃	Ta₃S₂	Aem2 39	oC40		40
Al₂O₄Pb	Al₂PbO₄	Ama2 40	oC28		28
CdK₂Pb	K₂CdPb	Ama2 40	oC16		16
CeTe₃	CeTe₃	Ama2 40	oC16		16
CrO₃	Orthorhombic CrO₃	Ama2 40	oC16		16
Mo₂O₇Rb₂	Rb₂Mo₂O₇	Ama2 40	oC88		88
B₅H₈KO₁₂	Santite	Aea2 41	oC104	K35	104
Bi₄O₁₂Ti₃	Orthorhombic Bi₄Ti₃O₁₂ m = 3 Aurivillius Structure	Aea2 41	oC76		76
PdSn₂	PdSn₂ (C_{e})	Aea2 41	oC24	Ce	24
PtSn₄	PtSn₄ (D1_{c})	Aea2 41	oC20	D1c	20
Bi₇Fe₃O₂₁	Bi₇	Fmm2 42	oF136		136
BN	BN (High-pressure, high-temperature)	Fmm2 42	oF8		8
O₁₀W₃	W₃O₁₀	Fmm2 42	oF52		52
Ag₂O₃	Ag₂O₃	Fdd2 43	oF40		40
Al₂₂Mo₅	Al₂₂Mo₅	Fdd2 43	oF216		216
Al₂H₄O₁₂Si₃	Natrolite	Fdd2 43	oF184	S610	184
Al₃Zr₂	Zr₂Al₃	Fdd2 43	oF40		40
Cs₂Se	Cs₂Se	Fdd2 43	oF24		24
Cu₂O₇V₂	Blossite	Fdd2 43	oF88		88
GeS₂	GeS₂ (C44)	Fdd2 43	oF72	C44	72
H₂KO₄P	Archerite	Fdd2 43	oF64		64
AgNO₂	AgNO₂ (F5₁₂)	Imm2 44	oI8	F512	8
AsGa	High-pressure GaAs	Imm2 44	oI4		4
H₂O₁₀Si₂Zn₄	Hemimorphite	Imm2 44	oI40	S22	40
MgZn	B30 (MgZn?) Structure ( Problematic ): AB_oI48_44_6c_abc2de-001	Imm2 44	oI48	B30	48
NaNO₂	Ferroelectric NaNO₂ (F5₅)	Imm2 44	oI8	F55	8
Ca₁₁InSb₉	Ca₁₁InSb₉	Iba2 45	oI84		84
Ga₂MnSb₂	MnGa₂Sb₂	Iba2 45	oI20		20
H₂LiN	β-LiNH₂	Iba2 45	oI32		32
AgC₄N₃	Room Temperature AgC₄N₃	Ima2 46	oI32		32
AgC₄N₃	Low Temperature AgC₄N₃	Ima2 46	oI32		32
AlCa₂FeO₅	Brownmillerite	Ima2 46	oI36		36
AlO₄P	Ordered Calcined AlPO₄-11	Ima2 46	oI120		120
CuN₈	CuN₈	Ima2 46	oI36		36
FeSiTi	TiFeSi	Ima2 46	oI36		36
Nb₂O₁₇Zr₆	Nb₂Zr₆O₁₇	Ima2 46	oI100		100
AuMn	AuMn	Pmmm 47	oP2		2
Ba₂Cu₃O_{7-x}Y	1212C [YBa₂Cu₃O_{7-x}] High-T_{c}	Pmmm 47	oP13		13
BaFe₂O₅Y	Class-II MV YBaFe₂O₅	Pmmm 47	oP9		9
Ga₅Gd₂Ni₃	Gd₂Ni₃Ga₅	Pnnn 48	oP80		80
Mo₂O₈PrRb	α-RbPr[MoO₄]₂	Pnnn 48	oP24		24
CsMo₂O₈Pr	CsPr	Pccm 49	oP24		24
H₃V₄	δ-V₄D₃	Pccm 49	oP14		14
O₅Ta₂	β-Ta₂O₅	Pccm 49	oP14		14
La₂NiO₄	Orthorhombic La₂NiO₄	Pban 50	oP28		28
O₃TeTl₂	α-Tl₂TeO₃	Pban 50	oP48		48
AuCd	β'-AuCd (B19)	Pmma 51	oP4	B19	4
BaFe₂O₅Y	Class-I MV YBaFe₂O₅	Pmma 51	oP18		18
BCU₂	α-UB₂C	Pmma 51	oP8		8
Bi₂Ni₃S₂	Parkerite	Pmma 51	oP8		8
BiCu	High-Pressure CuBi	Pmma 51	oP8		8
BiPd₃	α-BiPd₃	Pmma 51	oP16		16
Cl₂Hg₃S₂	Kenhsuite	Pmma 51	oP16		16
FLiNb₆O₁₅	LiNb₆O₁₅F	Pmma 51	oP46		46
RhTa	TaRh	Pmma 51	oP12		12
Bi₃Sr₂	Sr₂Bi₃	Pnna 52	oP20		20
Cl₂Ga	High-Pressure GaCl₂	Pnna 52	oP24		24
Cl₃H₁₂KMgO₆	Carnallite [Mg	Pnna 52	oP276		276
O₄SnW	α-SnWO₄	Pnna 52	oP24		24
BrCuSe₃	Pmna CuBrSe₃	Pmna 53	oP20		20
Cl₂CuH₄O₂	Eriochalcite	Pmna 53	oP18	C45	18
F₂H₅N	NH₄HF₂	Pmna 53	oP16	F58	16
NiTaTe₂	TaNiTe₂	Pmna 53	oP16		16
AgClO₂	AgClO₂	Pcca 54	oP16		16
BiGaO₃	BiGaO₃	Pcca 54	oP20		20
MoO₅U	UMoO₅	Pcca 54	oP28		28
As₂Ge	GeAs₂	Pbam 55	oP24		24
B₂C₂Sc	ScB₂C₂	Pbam 55	oP20		20
B₄CrY	YCrB₄	Pbam 55	oP24		24
B₈Ru₁₁	Ru₁₁B₈	Pbam 55	oP38		38
BFeMg₂O₅	Ludwigite	Pbam 55	oP36		36
Bi₂Fe₄O₉	Ambient pressure Bi₂Fe₄O₉	Pbam 55	oP30		30
C	R-carbon	Pbam 55	oP16		16
Ca₅Ga₂As₆	Ca₅Ga₂As₆	Pbam 55	oP26		26
Cl₄(H₂O)HgK₂	K₂HgCl₄cdotH₂O	Pbam 55	oP32	E34	32
Ge₃Rh₅	Rh₅Ge₃	Pbam 55	oP16		16
HoMn₂O₅	HoMn₂O₅	Pbam 55	oP32		32
Nb₂Pd₃Se₈	Nb₂Pd₃Se₈	Pbam 55	oP26		26
Nb₈P₅	Nb₈P₅	Pbam 55	oP54		54
O₄Pb₃	Possible Phase III Pb₃O₄	Pbam 55	oP14		14
O₄Pb₃	Minium-R	Pbam 55	oP28		28
O₄PbSb₂	Sb₂PbO₄	Pbam 55	oP14		14
SiTa₄Te₄	Ta₄SiTe₄	Pbam 55	oP36		36
B₂CaO₄	Calciborite	Pccn 56	oP56		56
H₂LiN	β-LiNH₂	Pccn 56	oP32		32
O₃Sb₂	Valentinite	Pccn 56	oP20	D511	20
O₄SnSr₂	Low-temperature Sr₂SnO₄	Pccn 56	oP28		28
AgEuO₄Ti	AgEuTiO₄	Pbcm 57	oP28		28
Al₃Ca₄Mg	Ca₄Al₃Mg	Pbcm 57	oP32		32
AlDy	DyAl	Pbcm 57	oP16		16
CKNS	KNCS	Pbcm 57	oP16	F59	16
ClCu₄O₆V	Coparsite [α-Cu₄O₂	Pbcm 57	oP48		48
FTl	TlF-II	Pbcm 57	oP8		8
Hg₇K₅	Hg₇Hg₅	Pbcm 57	oP48		48
NaNbO₃	NaNbO₃ Pbcm Lueshite Perovskite	Pbcm 57	oP40		40
O₃W	D0₁₀	Pbcm 57	oP16	D010	16
O₄SrU	SrUO₄	Pbcm 57	oP24		24
Rh₂Si₂Y₃	Y₃Rh₂Si₂	Pbcm 57	oP28		28
STa₂	Ta₂S	Pbcm 57	oP36		36
Al₂O₅Si	Andalusite	Pnnm 58	oP32	S02	32
AlH₃	γ-Alane (AlH₃)	Pnnm 58	oP24		24
AsHO₅Zn₂	Adamite [Zn₂	Pnnm 58	oP36	H27	36
B₂Mg₃O₆	Kotoite	Pnnm 58	oP22		22
B₄Cr	CrB₄	Pnnm 58	oP10		10
CaCl₂	Hydrophilite (CaCl₂, C35)	Pnnm 58	oP6	C35	6
Cl₂Pd	α-PdCl₂	Pnnm 58	oP6	C50	6
F₃Na₃O₈P₂V₂	Na₃V₂	Pnnm 58	oP72		72
Fe₂C	η-Fe₂C	Pnnm 58	oP6		6
FeS₂	Marcasite (FeS₂, C18)	Pnnm 58	oP6	C18	6
H₂Mg₇O₂₄Si₈	Protoanthophyllite	Pnnm 58	oP82		82
In₂P₄Sr₃	Sr₃In₂P₄	Pnnm 58	oP18		18
In₄Se₃	In₄Se₃	Pnnm 58	oP28		28
InS	InS	Pnnm 58	oP8		8
PTa₂	Ta₂P	Pnnm 58	oP36		36
S	S₁₂ Sulfur	Pnnm 58	oP24		24
AlF₄Rb	RbAlF₄ III	Pmmn 59	oP24		24
AuCuZr₂	θ-Zr₂CuAu	Pmmn 59	oP8		8
B₂Ru	RuB₂	Pmmn 59	oP6		6
CClN	CNCl	Pmmn 59	oP6		6
ClFeO	FeOCl	Pmmn 59	oP6	E05	6
Cu₃Ti	β-TiCu₃	Pmmn 59	oP8	D0a	8
CuTe	Vulcanite (CuTe)	Pmmn 59	oP4		4
FeLiO₂	Orthorhombic LiFeO₂	Pmmn 59	oP8		8
H₄N₂O₃	NH₄NO₃ IV	Pmmn 59	oP18	G011	18
NbPd₃	β-NbPd₃	Pmmn 59	oP24		24
O₅V₂	Shcherbinaite	Pmmn 59	oP14		14
B₂CaO₄	E3₂	Pbcn 60	oP28	E32	28
C₇H₈	β-Toluene	Pbcn 60	oP120		120
Cr₅O₁₂	Cr₅O₁₂	Pbcn 60	oP68		68
Fe₂N	ζ-Fe₂N	Pbcn 60	oP12		12
FeNa₂O₅Sb	Na₂FeSbO₅	Pbcn 60	oP72		72
FeNb₂O₆	Columbite	Pbcn 60	oP36	E51	36
Ge₃Ru₂	Ru₂Ge₃ Nowotny Chimney-Ladder	Pbcn 60	oP40		40
Li₃PS₄	α-Li₃PS₄	Pbcn 60	oP28		28
O₂Pb	α-PbO₂	Pbcn 60	oP12		12
O₃W	β-WO₃	Pbcn 60	oP32		32
Rh₂O₃	Rh₂O₃	Pbcn 60	oP20		20
AgCuO₄P	β-AgCuPO₄	Pbca 61	oP56		56
AgF₂	AgF₂	Pbca 61	oP12		12
AlH₄O{6}P₄	Variscite 10 [AlPO₄cdot	Pbca 61	oP96		96
AlO₄P	Calcined AlPO₄-53	Pbca 61	oP144		144
As₂Ni	Pararammelsbergite	Pbca 61	oP24		24
AsS₃Tl₃	Tl₃AsS₃	Pbca 61	oP56		56
AuSn₂	AuSn₂	Pbca 61	oP24		24
BBe₂HO₄	Hambergite [Be₂BO₃	Pbca 61	oP64	G72	64
BiErGeO₅	BiErGeO₅	Pbca 61	oP64		64
C₆H₆	Benzene	Pbca 61	oP48		48
Ca₂O₄Ru	Ca₂RuO₄	Pbca 61	oP28		28
Ca₄O₁₀Ti₃	Ca₄Ti₃O₁₀	Pbca 61	oP68		68
CClO	COCl	Pbca 61	oP24		24
CdSb	CdSb (B_{e})	Pbca 61	oP16	Be	16
CH₄N₂O₂	O-Carbamoylhydroxylamine (CH₄N₂O₂)	Pbca 61	oP72		72
Cl₇OPTi		Pbca 61	oP80		80
ClO₂	ClO₂	Pbca 61	oP24		24
CN	Cyanogen [(CN)₂]	Pbca 61	oP16		16
Cu₅FeS₄	Room Temperature Bornite (Cu₅FeS₄)	Pbca 61	oP160		160
CuI₇Mo₃	CuMo₃I₇	Pbca 61	oP88		88
HgO₂	β-HgO₂	Pbca 61	oP12		12
MgO₃Si	Enstatite	Pbca 61	oP80	S43	80
O₂Te	Tellurite	Pbca 61	oP24	C52	24
O₂Ti	Brookite	Pbca 61	oP24	C21	24
O₉P₂SrVZn	SrZn	Pbca 61	oP112		112
P₄Re	ReP₄	Pbca 61	oP40		40
PdSe₂	PdSe₂	Pbca 61	oP12		12
Ag₂CrO₄	Ag₂CrO₄	Pnma 62	oP28		28
AgC₈H₄N₅	Ag	Pnma 62	oP72		72
AgMnVO₄	AgMnVO₄	Pnma 62	oP28		28
AgTe	Empressite (AgTe)	Pnma 62	oP32		32
Al₂Au₃Sr	SrAu₃Al₂	Pnma 62	oP24		24
Al₂F₂O₄Si	Topaz	Pnma 62	oP36	S05	36
Al₂O₅Si	Sillimanite	Pnma 62	oP32	S03	32
Al₃Mn	Al₃Mn	Pnma 62	oP156		156
Al₃Ni	ε-Al₃Ni (D0₂₀)	Pnma 62	oP16	D020	16
AlBa₅Ir₂O₁₁	Ba₅AlIr₂O₁₁	Pnma 62	oP76		76
AlHO₂	Diaspore	Pnma 62	oP16	E02	16
AsCo	Modderite	Pnma 62	oP8		8
AsCuS	Lautite	Pnma 62	oP12		12
AsFe	Westerveldite	Pnma 62	oP8	B14	8
Au₄Zr	Au₄Zr	Pnma 62	oP20		20
B₂CaO₈Si₂	Danburite	Pnma 62	oP52	S63	52
B₃Ni₄	Orthorhombic Ni₄B₃	Pnma 62	oP28		28
B₄Mg	MgB₄	Pnma 62	oP20		20
Ba₅IrO₁₂Ru₂	Ba₅	Pnma 62	oP80		80
BaCuO₅Sm₂	BaCuSm₂O₅	Pnma 62	oP36		36
BaMn₂O₆Sm	Room Temperature SmBaMn₂O₆	Pnma 62	oP80		80
BaO₄S	Barite	Pnma 62	oP24	H02	24
BCoFeO₄	Warwickite	Pnma 62	oP28		28
BeHNaO₈Si₃	Epididymite (BeHNaO₈Si₃, S4₇)	Pnma 62	oP112	S47	112
BFe	FeB	Pnma 62	oP8	B27	8
BH₄Li	Low-temperature LiBH₄ structure: AB4C_oP24_62_c_2cd_c-002	Pnma 62	oP24		24
BHO₂	α-HBO₂	Pnma 62	oP48		48
Bi₂Fe₄O₉	High pressure Bi₂Fe₄O₉	Pnma 62	oP60		60
Bi₂PbS₄	Galenobismutite	Pnma 62	oP28		28
Bi₃Ni	NiBi₃	Pnma 62	oP16		16
BiCl₂CuSe	CuBiSeCl₂	Pnma 62	oP20		20
BiFeS₄Sb	Garavellite	Pnma 62	oP28		28
Br₂Sr	C53	Pnma 62	oP12	C53	12
Br₃CH₆NPb	Low Temperature Orthorhombic CH₃NH₃PbBr₃	Pnma 62	oP48		48
BrClI(NH₄)	NH₄ClBrI	Pnma 62	oP16	F514	16
C₂Cr₃	Tongbaite	Pnma 62	oP20	D510	20
C₂MoU	UMoC₂	Pnma 62	oP16		16
C₃Cr₇	C₃Cr₇ (D10₁)	Pnma 62	oP40	D101	40
C₈H₄K₄MoN₈O₂	K₄[Mo	Pnma 62	oP108	F21	108
Ca₂Fe₂O₅	Brownmillerite (Srebrodolskite) Brownmillerite (Ca₂Fe₂O₅)	Pnma 62	oP36		36
Ca₂O₄Si	alpha_{H}'-Ca₂SiO₄	Pnma 62	oP52		52
CaCO₃	Aragonite (G0₂, CaCO₃)	Pnma 62	oP20	G02	20
CaH₂₂O₂₃P₂U₂	Autunite {Ca[	Pnma 62	oP200		200
CaMgO₄Si	Monticellite	Pnma 62	oP28		28
CaMnSb₂	CaMnSb₂	Pnma 62	oP16		16
CaO₃Ti	CaTiO₃ Pnma Perovskite	Pnma 62	oP20		20
CaO₄Ta₂	Rynersonite	Pnma 62	oP36		36
CCaO₃	Monoclinic Vaterite	Pnma 62	oP20		20
CdCl₃(NH₄)		Pnma 62	oP20	E24	20
CdLi₂O₄Si	Li₂CdSiO₄	Pnma 62	oP32		32
CdP₁₄Sn	CdSnP₁₄	Pnma 62	oP64		64
CFe₃	Cementite	Pnma 62	oP16	D011	16
Cl₂Hg	HgCl₂	Pnma 62	oP12	C25	12
Cl₂Pb	Cotunnite	Pnma 62	oP12	C23	12
Cl₃CuK₂	K₂CuCl₃	Pnma 62	oP24		24
Cl₃H₁₅N₅Rh	RhCl₂	Pnma 62	oP96	J18	96
Cl₄(H₂O)K₂Sn	E3₅	Pnma 62	oP32	E35	32
Cl₄(H₂O)K₂Sn	K₂SnCl₄cdotH₂O	Pnma 62	oP32		32
Cl₄Cs₂Cu	Cs₂CuCl₄	Pnma 62	oP28		28
Cl₄H₂K₂OSn	K₂SnCl₄cdotH₂O	Pnma 62	oP40		40
Cl₈OPSb	SbCl₅cdotPOCl₃	Pnma 62	oP44		44
ClCu₂H₂O₃	Atacamite	Pnma 62	oP36		36
ClF₃	Orthorhombic ClF₃	Pnma 62	oP16		16
Co₂Si	Co₂Si (C37)	Pnma 62	oP12	C37	12
Co₂TaTe₂	TaCo₂Te₂	Pnma 62	oP40		40
Cs₂Sb	Cs₂Sb	Pnma 62	oP24		24
Cu₂NaO₂	NaCu₂O₂	Pnma 62	oP20		20
Cu₃H₄O₁₀STe	Approximate Cu₃	Pnma 62	oP64		64
CuFe₂S₃	Cubanite (CuFe₂S₃, E9_{e})	Pnma 62	oP24	E9e	24
CuMnP	MnCuP	Pnma 62	oP12		12
CuN₆	Copper	Pnma 62	oP28		28
CuO₄S	Chalcocyanite	Pnma 62	oP24		24
CuS₂Sb	Chalcostibite	Pnma 62	oP16	F56	16
CuS₃Ta	CuTaS₃	Pnma 62	oP20		20
CuSe₃SrY	SrCuYSe₃	Pnma 62	oP24		24
Er₂F₇K	β-KEr₂F₇	Pnma 62	oP80		80
Eu₃O₄	Eu₃O₄	Pnma 62	oP28		28
F₂Mg₃O₄Si	Norbergite [Mg	Pnma 62	oP40	S07	40
Fe₂Mg₅O₂₂(OH)₂Si₈	Anthophyllite	Pnma 62	oP156	S44	156
FeS₄Sb₂	Berthierite	Pnma 62	oP28	E33	28
Ge₃Pt₂	Pt₂Ge₃	Pnma 62	oP20		20
Ge₄Sm₅	Sm₅Ge₄	Pnma 62	oP36		36
GeS	GeS (B16)	Pnma 62	oP8	B16	8
H₂Sr	SrH₂	Pnma 62	oP12	C29	12
I₃(NH₄)	NH₄I₃	Pnma 62	oP16	D016	16
IrSe₂	IrSe₂	Pnma 62	oP24		24
K₂O₄S	Arcanite	Pnma 62	oP28	H16	28
K₂O₆S₃	K₂S₃O₆	Pnma 62	oP44	K51	44
K₂Te₃	K₂Te₃	Pnma 62	oP20		20
KNO₃	α-Potassium Nitrate (KNO₃) Structure I: ABC3_oP20_62_c_c_cd-001	Pnma 62	oP20		20
Li₃PS₄	β-Li₃PS₄	Pnma 62	oP36		36
Mg₂O₄Si	Forsterite	Pnma 62	oP28	S12	28
MnP	MnP (B31)	Pnma 62	oP8	B31	8
Mo₄P₃	Mo₄P₃	Pnma 62	oP56		56
MoO₃	Molybdite (MoO₃, D0₈)	Pnma 62	oP16	D08	16
N(NH₄)O₃	NH₄NO₃ III	Pnma 62	oP20	G010	20
Na	High-Pressure oP8 Sodium	Pnma 62	oP8		8
Ni₂TaTe₂	TaNi₂Te₂	Pnma 62	oP20		20
Ni₃Ta₂Te₅	Ta₂Ni₃Te₅	Pnma 62	oP40		40
NiSi	η-NiSi (B_{d})	Pnma 62	oP8	Bd	8
NiTh	ThNi	Pnma 62	oP16		16
Np	α-Np (A_{c})	Pnma 62	oP8	Ac	8
O₂SrZn	SrZnO₂: A2BC_oP16_62_2c_c_c-004	Pnma 62	oP16		16
O₃W	Original β-WO₃ Structure	Pnma 62	oP32		32
O₅SV	VOSO₄	Pnma 62	oP28		28
O₆PbV₂	PbV₂O₆	Pnma 62	oP36		36
O₇Si₂Y₂	Possible δ-Y₂Si₂O₇	Pnma 62	oP44		44
P₃Rh₄	Rh₄P₃	Pnma 62	oP28		28
P₄Se₃	P₄Se₃	Pnma 62	oP112		112
S₃Sb₅	Stibnite	Pnma 62	oP20	D58	20
S₃Sn₂	Ottemannite	Pnma 62	oP20		20
SrZn₅	SrZn₅	Pnma 62	oP24		24
SSn	α-SnS	Pnma 62	oP8	B29	8
Ag₇Ca₂	Ag₇Ca₂	Cmcm 63	oC36		36
Al₂CuMg	MgCuAl₂	Cmcm 63	oC16	E1a	16
Al₄FeO₁₀(OH)₂Si	S0₄	Cmcm 63	oC76	S04	76
Al₄NiY	YNiAl₄	Cmcm 63	oC24		24
Al₅Fe₂	η-Fe₂Al₅	Cmcm 63	oC24		24
Al₆Mn	MnAl₆	Cmcm 63	oC28	D2h	28
AlBMo	MoAlB	Cmcm 63	oC12		12
AlF₃	β-AlF₃	Cmcm 63	oC48		48
AlF₅Tl₂	Refined Tl₂AlF₅	Cmcm 63	oC32		32
AlO₄P	AlPO₄-8	Cmcm 63	oC216		216
As₃Nb₄	Nb₄As₃	Cmcm 63	oC56		56
AsCV₃	V₃AsC	Cmcm 63	oC20		20
AsMn₃	Mn₃As	Cmcm 63	oC16		16
BaF₄Mg	High-Pressure BaMgF₄	Cmcm 63	oC24		24
BaZn₅	BaZn₅	Cmcm 63	oC24		24
BCr	CrB	Cmcm 63	oC8	B33	8
BCU	UBC	Cmcm 63	oC12		12
Bi₄O₁₁V₂	β-Bi₄V₂O₁₁	Cmcm 63	oC76		76
Br₂Cu₂O₆PbSe₂	Cu₂Pb	Cmcm 63	oC52		52
BRe₃	Re₃B	Cmcm 63	oC16		16
Ca₂LaMn₂O₇	LaCa₂Mn₂O₇	Cmcm 63	oC48		48
CaFe₃O₅	CaFe₃O₅	Cmcm 63	oC36		36
CaFe₄O₆	CaFe₄O₆	Cmcm 63	oC44		44
CaFe₅O₇	CaFe₅O₇	Cmcm 63	oC52		52
CaO₄Si	Anhydrite	Cmcm 63	oC24	H01	24
CFe₂SiTh	ThFe₂SiC	Cmcm 63	oC20		20
Cl₂O₅Pb₃W	Pinalite	Cmcm 63	oC44		44
Co₃Ga₉Y₂	Y₂Ga₉Co₃	Cmcm 63	oC56		56
CrNa₂O₄	Na₂CrO₄	Cmcm 63	oC28	H18	28
Cu₃Ge₄K₂O₁₂	K₂Cu₃Ge₄O₁₂	Cmcm 63	oC84		84
CuKS₃Zr	KCuZrS₃	Cmcm 63	oC24		24
CuO₂Sr	SrCuO₂	Cmcm 63	oC16		16
F₃Na₃O₈P₂V₂	Na₃V₂	Cmcm 63	oC80		80
Fe₂KS₃	Rasvumite	Cmcm 63	oC24		24
Fe₂O₅Ti	Pseudobrookite	Cmcm 63	oC32	E41	32
FeHO₂	Lepidocrocite [γ-FeO	Cmcm 63	oC20	E04	20
FeLiO₄P	β'-LiFePO₄	Cmcm 63	oC28		28
Ga₃PdSr	SrPdGa₃	Cmcm 63	oC20		20
HgNa	NaHg	Cmcm 63	oC16		16
La_3NbO₇	La₃NbO₇	Cmcm 63	oC44		44
La₄₃Mg₅Ni₁₇	La₄₃Ni₁₇Mg₅	Cmcm 63	oC260		260
MgO₃Si	Post-perovskite	Cmcm 63	oC20		20
MgO₄S	MgSO₄	Cmcm 63	oC24		24
Na₂O₄S	Na₂SO₄	Cmcm 63	oC28		28
NaNbO₃	NaNbO₃ Cmcm Lueshite Perovskite	Cmcm 63	oC40		40
Nb₁₂O₂₉	Orthorhombic Nb₁₂O₂₉	Cmcm 63	oC164		164
NbNiTe₅	NbNiTe₅	Cmcm 63	oC28		28
Nd₂Te₅	Nd₂Te₅	Cmcm 63	oC28		28
NdTe₃	NdTe₃	Cmcm 63	oC16		16
Ni₇S₆	α-Ni₇S₆	Cmcm 63	oC56		56
NiS₅Ta₂	Ta₂NiS₅	Cmcm 63	oC32		32
O₇SnSr₃	Sr₃SnO₇	Cmcm 63	oC48		48
Pd₅Pu₃	Pd₅Pu₃	Cmcm 63	oC32		32
Re₂U	URe₂	Cmcm 63	oC24		24
Si₂₄	Si₂₄ Clathrate	Cmcm 63	oC24		24
Si₂Zr	ZrSi₂	Cmcm 63	oC12	C49	12
Sn₄Sr	SrSn₄	Cmcm 63	oC20		20
SSn	β-SnS	Cmcm 63	oC8		8
Te₅Zr	ZrTe₅	Cmcm 63	oC24		24
U	α-U (A20)	Cmcm 63	oC4	A20	4
AlLi₃P₂	Experimental Li₃AlP₂	Cmce 64	oC48		48
Au₃Zn	R₂ Au₃Zn	Cmce 64	oC32		32
B₂C₂Mg	MgB₂C₂	Cmce 64	oC80		80
CoGe₂	CoGe₂	Cmce 64	oC24		24
CoNbTe₂	NbCoTe₂	Cmce 64	oC32		32
Cs₄F₁₀Mg₃	Cs₄Mg₃F₁₀	Cmce 64	oC68		68
CuGd₂O₄	Gd₂CuO₄	Cmce 64	oC28		28
CuLa₂O₄	Base-Centered Orthorhombic La₂CuO₄	Cmce 64	oC28		28
FeSi_2	Low Temperature FeSi₂	Cmce 64	oC48		48
Ga	α-Ga (A11)	Cmce 64	oC8	A11	8
H₂S	H₂S (170 GPa)	Cmce 64	oC24		24
I	Molecular Iodine (A14)	Cmce 64	oC8	A14	8
K₂Mo₂NiO₈	K₂Ni	Cmce 64	oC104		104
KO	KO	Cmce 64	oC16		16
La₂Ni₃	La₂Ni₃	Cmce 64	oC20		20
LiNaO₁₅Si₆Zr	Zektzerite	Cmce 64	oC192		192
Mo₂Na₂O₇	Na₂Mo₂O₇	Cmce 64	oC88		88
Ni₁₀Zr₇	Zr₇Ni₁₀	Cmce 64	oC68		68
O₁₀Ru₃Sr₄	Base-centered Orthorhombic Sr₄Ru₃O₁₀	Cmce 64	oC68		68
O₁₀Ru₃Sr₄	Orthorhombic Sr₄Ru₃O₁₀	Cmce 64	oC68		68
P	Black Phosphorus (A17)	Cmce 64	oC8	A17	8
PdSn₃	PdSn₃	Cmce 64	oC32		32
Sb₂Sm	SmSb₂	Cmce 64	oC24		24
Ag₃Te₂Tl	Ag₃Te₂Tl	Cmmm 65	oC12		12
AlB₂Mn₂	Mn₂AlB₂	Cmmm 65	oC10		10
AlB₆Cr₄	Cr₄AlB₆	Cmmm 65	oC22		22
B₄MoTh	ThMoB₄	Cmmm 65	oC24		24
Ba₂Cu₄O₈Y	124 Superconductor	Cmmm 65	oC30		30
Ba₄Cu₇O₁₅Y₂	247 Superconductor	Cmmm 65	oC58		58
BaGe₇Ir₂	BaIr₂Ge₇	Cmmm 65	oC96		96
BaMn₂O₆Sm	High Temperature SmBaMn₂O₆	Cmmm 65	oC40		40
Bi₃MnRh	RhMnBi₃	Cmmm 65	oC20		20
CdPt₃	CdPt₃ ( New L1₃)	Cmmm 65	oC8	L13	8
Cl₂H₆MgN₂	Mg	Cmmm 65	oC26	E13	26
FNb₃O₇	Nb₃O₇F	Cmmm 65	oC22		22
Ga₂Zr	Ga₂Zr	Cmmm 65	oC12		12
Ga₃Pt₅	Ga₃Pt₅	Cmmm 65	oC16		16
Ge₂Li₇	Li₇Ge₂	Cmmm 65	oC36		36
Ge₃NiSm	SmNiGe₃	Cmmm 65	oC20		20
IrV	α-IrV	Cmmm 65	oC8		8
Li₂O₃Pr	Li₂PrO₃	Cmmm 65	oC12		12
Sn₇Tb₃	Tb₃Sn₇	Cmmm 65	oC28		28
Al₂Se₄Sr	SrAl₂Se₄	Cccm 66	oC28		28
Ba₃S₇Zr₂	Orthorhombic Ba₃Zr₂S₇	Cccm 66	oC48		48
H₃S	H₃S (60 GPa)	Cccm 66	oC64		64
HNb	NbD	Cccm 66	oC8		8
I₃Th	β-ThI₃	Cccm 66	oC64		64
IrLi₂O₃	γ-Li₂IrO₃	Cccm 66	oC96		96
Al₂CuIr	Al₂CuIr	Cmme 67	oC16		16
AlO₄P	High-Temperature AlPO₄-25	Cmme 67	oC72		72
CuHoP₂	HoCuP₂	Cmme 67	oC16		16
FeSe	α-FeSe	Cmme 67	oC8		8
H₂(NH₄)O₂P	NH₄H₂PO₂	Cmme 67	oC24	F57	24
OPb	α-PbO	Cmme 67	oC8		8
RbPaF₆	RbPaF₆ (V)	Cmme 67	oC32		32
PdSn₄	PdSn₄	Ccce 68	oC20		20
As₂Rh₂Sr	β-SrRh₂As₂	Fmmm 69	oF20		20
Bi₃Nb₂O₉	Orthorhombic Bi₃NbTiO₉ m = 2 Aurivillius	Fmmm 69	oF56		56
Bi₄LaTi₃	LaTi₃Bi₄	Fmmm 69	oF64		64
Bi₄O₁₂Ti₃	Orthorhombic Bi₄Ti₃O₁₂ m = 3 Aurivillius	Fmmm 69	oF76		76
CsV₈Sb₁₂	CsV₈Sb₁₂	Fmmm 69	oF84		84
CuLa₂O₄	Face-Centered Orthorhombic La₂CuO₄	Fmmm 69	oF28		28
FTl	TlF	Fmmm 69	oF8	B24	8
La₂O₇Sc₂Sr	SrLa₂Sc₂O₇	Fmmm 69	oF48		48
La₃Ni₂O₇	Orthorhombic La₃Ni₂O₇	Fmmm 69	oF48		48
P₃Rb₂	Rb₂P₃	Fmmm 69	oF40		40
BMn₂	Mn₂B	Fddd 70	oF48	D1f	48
CuMg₂	Mg₂Cu	Fddd 70	oF48	Cb	48
Na₂O₃Pt	β-Na₂PtO₃	Fddd 70	oF96		96
Na₂O₄S	Thenardite [Na₂SO₄	Fddd 70	oF56	H17	56
Pu	γ-Pu	Fddd 70	oF8		8
RbSe₂V	RbVSe₂	Fddd 70	oF64		64
S	α-S (A16)	Fddd 70	oF128	A16	128
S₃Sc₂	Sc₂S₃	Fddd 70	oF80		80
Si₂Ti	TiSi₂	Fddd 70	oF24	C54	24
Al₁₁La₃	La₃Al₁₁	Immm 71	oI28		28
AlF₆Na₃	High-Temperature Cryolite	Immm 71	oI20		20
B₂CoW₂	CoW₂B₂	Immm 71	oI10		10
B₄Ta₃	Ta₃B₄	Immm 71	oI14	D7b	14
C₄CoSc₃	Sc₃CoC₄	Immm 71	oI16		16
C₆₀Cs₃	Orthorhombic Fullerene	Immm 71	oI128		128
CsFeS₂	CsFeS₂ (100K)	Immm 71	oI16		16
CsO	CsO	Immm 71	oI8		8
CuLi₂O₂	Li₂CuO₂	Immm 71	oI10		10
MoPt₂	MoPt₂	Immm 71	oI6		6
Nb₆Sn₅	Nb₆Sn₅	Immm 71	oI44		44
NbPS	NbPS	Immm 71	oI12		12
Te₂U	UTe₂	Immm 71	oI12		12
Co₃Si₅U₂	U₂Co₃Si₅	Ibam 72	oI40		40
Ga₂Mg₅	Ga₂Mg₅ (D8_{g})	Ibam 72	oI28	D8g	28
S₂Si	SiS₂	Ibam 72	oI12	C42	12
AgCKO₃	KAg[CO₃]	Ibca 73	oI48		48
AlLi₃P₂	Predicted Li₃AlP₂	Ibca 73	oI96		96
Al₄U	Al₄U (D1_{b})	Imma 74	oI20	D1b	20
AlB₁₄Mg	MgAlB₁₄	Imma 74	oI68		68
AlB₁₄Na	NaAlB₁₄	Imma 74	oI64		64
AlO₄P	Disordered Calcined AlPO₄-11	Imma 74	oI120		120
BaO₃Pb	β-BaPbO₃ Perovskite	Imma 74	oI20		20
Br₃CH₆NPb	Low Temperature Body-Centered Orthorhombic CH₃NH₃PbBr₃	Imma 74	oI192		192
CeCu₂	CeCu₂	Imma 74	oI12		12
Cl₂N₂H₆Zn	Zn	Imma 74	oI44	E12	44
CuLiO₄V	LiCuVO₄	Imma 74	oI28		28
GdSi₂	GdSi₂	Imma 74	oI12		12
Hg₂K	KHg₂	Imma 74	oI12		12
Hg₃I₂S₂	Hg₃S₂I₂	Imma 74	oI56		56
KNa₂O₁₅Si₆Y	Moskvinite	Imma 74	oI100		100

Tetragonal (382)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
Al₂F₂(H₂O)Li₆O₁₆P₄	Li₃[AlP₂O₇F	P4 75	tP90		90
BaCr₂O₁₂Ru₄	Hexagonal Hollandite	P4 75	tP76		76
C₂LaRh	LaRhC₂	P41 76	tP16		16
Ca₂O₇P₂	β-Ca₂P₂O₇	P41 76	tP88		88
Cs₃P₇	Cs₃P₇	P41 76	tP40		40
B₂H₆MgO₇	Pinnoite	P42 77	tP64		64
H₂S	H₂S III	P42 77	tP48		48
H₄N₂O₃	Gwihabaite	P42 77	tP72		72
As₂O₇Sr₂	Sr₂As₂O₇	P43 78	tP88		88
CH₃LaO₇S	La	P43 78	tP52		52
Ag₆Fe₄K₅Te₁₀	K₅Fe₄Ag₆Te₁₀	I4 79	tI50		50
Sb₂TlZn₂	TlZn₂Sb₂	I4 79	tI20		20
NbO₂	β-NbO₂	I41 80	tI48		48
GeSe₂	GeSe₂ (High Pressure)	P-4 81	tP12		12
Al₂CdS₄	CdAl₂S₄	I-4 82	tI14	E3	14
BO₄P	BPO₄	I-4 82	tI12	H07	12
Cu₂S₄SnZn	Kesterite [Cu₂	I-4 82	tI16		16
H₂LiN	α-LiNH₂	I-4 82	tI32		32
InPS₄	InPS₄	I-4 82	tI12		12
Ni₃P	Ni₃P (D0_{e})	I-4 82	tI32	D03	32
Au₃₁Mn₉	Au₃₁Mn₉	P4/m 83	tP40		40
Ga₃Ti₂	Ti₂Ga₃	P4/m 83	tP10		10
Cu₄Pd	Cu₄Pd	P42/m 84	tP20		20
PdS	Vysotskite (PdS, B34)	P42/m 84	tP16	B34	16
AlH₃	Provisional δ-Alane (AlH₃)	P4/n 85	tP64		64
As₉Ca₅Fe₅Pt₂	10-4-8 [Ca₁₀	P4/n 85	tP42		42
BaO₁₂Ru₆	BaRu₆O₁₂	P4/n 85	tP76		76
Br₂Sr	α-SrBr₂	P4/n 85	tP30		30
Br₃(H₂O)₆KMg	Bromocarnallite	P4/n 85	tP44	E26	44
CaO₉V₄	CaV₄O₉	P4/n 85	tP28		28
MoO₅P	MoPO₅	P4/n 85	tP14		14
CaCrMnO₆Sb	Double-Double Perovskite CaMnCrSbO₆	P42/n 86	tP40		40
Cl₂NP	PNCl₂	P42/n 86	tP32	E14	32
ILiO₃	β-LiIO₃	P42/n 86	tP40		40
Na(OH)₆Sb	NaSb	P42/n 86	tP32	J111	32
Nd₄O₁₁Re₂	Nd₄Re₂O₁₁	P42/n 86	tP68		68
PTi₃	Ti₃P	P42/n 86	tP32		32
Al₃ClNa₄O₂₄Si₉	Marialite Scapolite [Na₄Cl	I4/m 87	tI82	S64	82
Ba₅Ni₄O₂₁Yb₈	Ba₅Yb₈Ni₄O₂₁	I4/m 87	tI76		76
Ga₂Te₅	Ga₂Te₅	I4/m 87	tI14		14
MoNi₄	Ni₄Mo	I4/m 87	tI10	D1a	10
Na₄O₅U	Na₄UO₅	I4/m 87	tI20		20
Ni₁₂P₅	Ni₁₂P₅	I4/m 87	tI34		34
NiO₆Sr₂W	Sr₂NiWO₆	I4/m 87	tI20		20
O₂V	High Temperature Metastable VO₂	I4/m 87	tI24		24
Te₄Ti₅	Ti₅Te₄	I4/m 87	tI18		18
CaO₄W	Scheelite	I41/a 88	tI24	H04	24
Cl₄Th	α-ThCl₄	I41/a 88	tI20		20
CuN₃	Copper (I) Azide (CuN₃)	I41/a 88	tI32		32
Ge₉Na₄O₂₀	Na₄Ge₉O₂₀	I41/a 88	tI132		132
NbO₂	α-NbO₂	I41/a 88	tI96		96
C₁₇FeH₁₇O₄Pt		P422 89	tP320		320
C₁₇FeH₁₇O₄Pt		P422 89	tP184		184
BaCu₄O₁₇P₄V	BaCu₄[VO][PO₄]₄	P4212 90	tP54		54
CCl₂O₃Pb₂	G7₅	P4212 90	tP16	G75	16
Cu₃Hg₂O₁₆Te₆	Hg₂Cu₃	P4212 90	tP54		54
H₄Na₂O₁₃Si₄Ti	Na₄Ti₂Si₈O₂₂	P4212 90	tP48		48
BCTh	ThBC	P4122 91	tP24		24
AlLiO₂	γ-LiAlO₂	P41212 92	tP16		16
As₈Ni₁₁	Maucherite	P41212 92	tP76		76
H₁₂NiO₁₀S	Retgersite	P41212 92	tP96	H45	96
Ni₂Y₃	Y₃Ni₂	P41212 92	tP80		80
O₂Si	α-Cristobalite	P41212 92	tP12	C30	12
O₂Te	Paratellurite	P41212 92	tP12		12
P₂Zn	Tetragonal	P41212 92	tP24		24
Si₄Zr₅	Zr₅Si₄	P41212 92	tP36		36
STl	Intermediate Temperature Tetragonal TlS	P41212 92	tP64		64
AsC₃₂CeP₄S₈	AsPh₄CeS₈P₄Me₈	P4222 93	tP184		184
F₁₄Fe₃Na₅	Na₅Fe₃F₁₄	P42212 94	tP44		44
F₆Li₂Mo	Li₂MoF₆	P42212 94	tP18		18
BCTh	ThBC	P4322 95	tP24		24
AlB₁₂	α-AlB₁₂	P43212 96	tP216		216
O₂Si	Keatite	P43212 96	tP36		36
Si	ST12 Structure of Si: A_tP12_96_ab-001	P43212 96	tP12		12
Cu₂F₈GdNa	NaGdCu₂F₈	I422 97	tI24		24
ISe₈Ta₂	Ta₂Se₈I	I422 97	tI44		44
As₂Cd	CdAs₂	I4122 98	tI12		12
Cd₂O₇Re₂	Phase III Cd₂Re₂O₇	I4122 98	tI44		44
BaO₃Ti	Room Temperature Tetragonal BaTiO₃	P4mm 99	tP5		5
O₃PbZr	Tetragonal PZT [Pb	P4mm 99	tP5		5
Ba₂O₈Si₂Ti	Fresnoite	P4bm 100	tP26		26
Ce₃N₁₁Si₆	Ce₃Si₆N₁₁	P4bm 100	tP40		40
Cl(NH₄)O₂	F5₄	P4bm 100	tP8	F54	8
N(NH₄)O₃	NH₄NO₃ II	P4bm 100	tP10	G09	10
C₇Cu₂H₁₂N₄S₃	[	P42cm 101	tP112		112
MgNiSn	Y-MgNiSn	P42cm 101	tP32		32
Al₂Gd₃	Gd₃Al₂	P42nm 102	tP20		20
NS₂	S₂	P42nm 102	tP24		24
NbTe₄	High Temperature NbTe₄	P4cc 103	tP10		10
O₆Se₂V	VSe₂O₆	P4cc 103	tP72		72
Ba₅Bi₅In₄	Ba₅In₄Bi₅	P4nc 104	tP28		28
HgI₆Tl₄	Tl₄HgI₆	P4nc 104	tP22		22
As₂BaGe₂	BaGe₂As₂	P42mc 105	tP20		20
H₃NaO₃Zn	NaZn[OH]₃	P42bc 106	tP64		64
BaNiSn₃	BaNiSn₃	I4mm 107	tI10		10
Co₅Ge₇	Co₅Ge₇	I4mm 107	tI24		24
GeP	GeP (High-pressure, superconducting)	I4mm 107	tI4		4
P₂U	Low Temperature UP₂	I4mm 107	tI24		24
O₉P₂VZn₂	Zn₂VO	I4cm 108	tI56		56
Si₃Sr₅	Sr₅Si₃ Structure	I4cm 108	tI32		32
AsNb	NbAs	I41md 109	tI8		8
LaPtSi	LaPtSi	I41md 109	tI12		12
B₂BeH₈	Be[BH₄]₂	I41cd 110	tI176		176
Ag₂HgI₄	E3₁ (β-Ag₂HgI₄)	P-42m 111	tP7	E31	7
Cu₉Fe₉S₁₆	Mooihoekite (Cu₉Fe₉S₁₆)	P-42m 111	tP34		34
F₂Mn	MnF₂	P-42m 111	tP12		12
AlCl₄Cu	α-CuAlCl₄	P-42c 112	tP12		12
Ba₂GeOS₆Zn	Ba₂ZnGe₂S₆O	P-421m 113	tP24		24
BaS₃	BaS₃ (D0₁₇)	P-421m 113	tP8	D017	8
Ca₂MgO₇Si₂	Akermanite	P-421m 113	tP24	S53	24
ClH₄NO₂	Ammonium Chlorite	P-421m 113	tP16		16
FeNb₂O₆	Tetragonal FeNb₂O₆	P-421m 113	tP18		18
Gd₂Mo₃O₁₂	β-Gd₂	P-421m 113	tP34		34
Ag₂H₁₂N₄O₄S	Ag₂SO₄cdot4NH₃	P-421c 114	tP46	H417	46
C₁₉Sc₁₅	C₁₉Sc₁₅	P-421c 114	tP68		68
Li₃PS₄	Theoretical δ-Li₃PS₄	P-421c 114	tP16		16
O₃Se	SeO₃	P-421c 114	tP32		32
Pd₄Se	Pd₄Se	P-421c 114	tP10		10
Al₂O₃	Deltalumite (δ-alumina, Al₂O₃)	P-4m2 115	tP84		84
CuFeS₂	F6₁ Chalcopyrite (CuFeS₂) Structure ( Obsolete ): ABC2_tP4_115_a_c_g-001	P-4m2 115	tP4	F61	4
CuSb₃Zr₂	Zr₂CuSb₃	P-4m2 115	tP6		6
HgI₂	Orange (averaged) HgI₂	P-4m2 115	tP12		12
P₂Rh₃	Rh₃P₂	P-4m2 115	tP5		5
Ga₁₇Rh₁₀	Rh₁₀Ga₁₇	P-4c2 116	tP108		108
Mn₄Si₇	Mn₄Ge₇ Nowotny Chimney-Ladder	P-4c2 116	tP44		44
Ru₂Sn₃	Ru₂Sn₃	P-4c2 116	tP20		20
Bi₂O₃	β-Bi₂O₃ (D5₁₂)	P-4b2 117	tP20	D512	20
Ga₅Ir₃	Ir₃Ga₅	P-4n2 118	tP32		32
In₃Ru	RuIn₃	P-4n2 118	tP16		16
Cd₂O₇Re₂	Predicted Phase IV Cd₂Re₂O₇	I-4m2 119	tI44		44
Cd₂O₇Re₂	Phase II Cd₂Re₂O₇	I-4m2 119	tI44		44
FeS₂Tl	Tetragonal TlFeS₂	I-4m2 119	tI8		8
Ga₃Rb	RbGa₃	I-4m2 119	tI24		24
GaSb	GaSb (II)	I-4m2 119	tI4		4
Mn₂RhSn	Mn₂RhSn Tetragonal Heusler	I-4m2 119	tI8		8
AgMgSb	α-MgAgSb	I-4c2 120	tI48		48
Au₄KSn₄	KAu₄Sn₂	I-4c2 120	tI28		28
BeH₈O₈S	BeSO₄cdot4H₂O	I-4c2 120	tI72	H43	72
AsCu₃S₄	Luzonite	I-42m 121	tI16		16
B₂Cu₂O₆Sr	SrCu₂	I-42m 121	tI44		44
BFe₂	C17	I-42m 121	tI12	C17	12
CdGeTe₄Tl₂	Tl₂CdGeTe₄	I-42m 121	tI16		16
CrK₃O₈	K₃CrO₈	I-42m 121	tI24		24
Cu₂FeS₄Sn	Stannite	I-42m 121	tI16	H26	16
SV₃	α-V₃S	I-42m 121	tI32		32
Ba₁₉Li₄₄	Ba₁₉Li₄₄	I-42d 122	tI252		252
C₂HgN₂	Mercury Cyanide [Hg	I-42d 122	tI40	F11	40
CuFeS₂	Chalcopyrite (CuFeS₂, E1₁)	I-42d 122	tI16	E11	16
H₆NO₄P	NH₄H₂PO₄	I-42d 122	tI56		56
KH₂PO₄	KH₂PO₄ (H2₂)	I-42d 122	tI40	H22	40
Mn_{1.4}PtSn	Mn_{1.4}PtSn	I-42d 122	tI28		28
NaS₂	NaS₂	I-42d 122	tI48		48
(H₂O)₈(OH)₂Sr	E6₁ [Sr	P4/mmm 123	tP11	E61	11
(H₂O)₈O₂Sr	E6₂ [SrO₂	P4/mmm 123	tP11	E62	11
Al₄Au_{2(1-x)}EuGe_{2x}	EuAuAl₄	P4/mmm 123	tP8		8
AlF₄Tl	TlAlF₄	P4/mmm 123	tP6	H08	6
As₂BaOTi₂	BaTi₂As₂O	P4/mmm 123	tP6		6
As₄CaFe₄Rb	CaRbFe₄As₄	P4/mmm 123	tP10		10
AuCu	CuAu	P4/mmm 123	tP2	L10	2
AuMn₃	AuMn₃	P4/mmm 123	tP12		12
Ba₂Ca₂Cu₃HgO₆	HgBa₂Ca₂Cu₃O₈	P4/mmm 123	tP16		16
Ba₂CaCu₂HgO₄	HgBa₂CaCu₂O₆	P4/mmm 123	tP12		12
Ba₂CaCu₂HgO₇	HgBa₂CaCu₂O_{6+delta}	P4/mmm 123	tP13		13
Ba₂Cu₃O₇Y	Tetragonal Ba₂YCu_{3-x}O_{7-y}	P4/mmm 123	tP14		14
Ba₂CuHgO₄	HgBa₂CuO₄	P4/mmm 123	tP8		8
BaCuFeO₅Y	YBaCuFeO₅	P4/mmm 123	tP11		11
Bi₅ClO₁₄PbTi₃	High Temperature Bi₅PbTi₃O₁₄Cl	P4/mmm 123	tP24		24
CaCuO₂	CaCuO₂	P4/mmm 123	tP4		4
CCeCr₂Si₂	CeCr₂Si₂C	P4/mmm 123	tP6		6
CCo₂Mn₂	Mn₂Co₂C	P4/mmm 123	tP5		5
Ce₃In₁₁Pd	Ce₃PdIn₁₁	P4/mmm 123	tP15		15
Ce₅In₁₉Pd₂	Ce₅Pd₂In₁₉	P4/mmm 123	tP26		26
CeGa₆Pd	CePdGa₆	P4/mmm 123	tP8		8
Cl₃H₄HgN₄	NH₄HgCl₃	P4/mmm 123	tP5	E25	5
Cl₄K₂Pt	K₂PtCl₄	P4/mmm 123	tP7	H15	7
CoGa₅Ho	HoCoGa₅	P4/mmm 123	tP7		7
CoGa₈Ho₂	Ho₂CoGa₈	P4/mmm 123	tP11		11
Cu₄KS₃	KCu₄S₃	P4/mmm 123	tP8		8
CuTi	δ-CuTi (L2_{a})	P4/mmm 123	tP2	L2a	2
CuTi₃	CuTi₃ (L6₀)	P4/mmm 123	tP4	L60	4
FeNNi	FeNNi	P4/mmm 123	tP3		3
FeSi_2	Linzhiite	P4/mmm 123	tP3		3
IrSrO₃	γ-SrIrO₃ Double Perovskite	P4/mmm 123	tP10		10
Ca(H₂O)₈O₂	CaO₂	P4/mcc 124	tP22		22
CoNb₄Si	Nb₄CoSi	P4/mcc 124	tP12		12
NbTe₄	Room Temperature NbTe₄	P4/mcc 124	tP10		10
CdKSe₄	KCeSe₄	P4/nbm 125	tP12		12
Fe₂S₄Sr	SrFe₂S₄	P4/nbm 125	tP16		16
Ga₁₂NiSm₂	Sm₂NiGa₁₂	P4/nbm 125	tP30		30
Ga₆Pu	PuGa₆	P4/nbm 125	tP14		14
Pb₄Pt	PtPb₄	P4/nbm 125	tP10	D1d	10
Ag₄Ca₁₀Mg₂O₃₄(OH)₄Si₉	Vesuvianite	P4/nnc 126	tP252	S23	252
AgCoN₄(NH₃)₂O₈	Ag[Co	P4/nnc 126	tP32	J19	32
Al₂BiS₄	BiAl₂S₄	P4/nnc 126	tP28		28
AlF₃	κ-AlF₃	P4/mbm 127	tP40		40
AlF₄Rb	RbAlF₄ II	P4/mbm 127	tP12		12
B₂FeMo₂	Mo₂FeB₂	P4/mbm 127	tP10		10
B₄Th	ThB₄	P4/mbm 127	tP20	D1e	20
CCl₂O₃Pb₂	Phosgenite [Pb₂Cl₂	P4/mbm 127	tP32		32
Cl₂(H₂O)(NH₃)₄Pd	Pd	P4/mbm 127	tP16	H49	16
Hg₅Mn₂	Mn₂Hg₅	P4/mbm 127	tP14		14
K₃O₁₅W₃	Tetragonal Potassium Bronze	P4/mbm 127	tP46		46
NaNbO₃	NaNbO₃ P4/mbm Lueshite Perovskite	P4/mbm 127	tP10		10
Si₂U₃	Si₂U₃ (D5_{a})	P4/mbm 127	tP10	D5a	10
Al₃F₁₄Na₅	Chiolite	P4/mnc 128	tP44	K75	44
Al₇Cu₂Fe	FeCu₂Al₇	P4/mnc 128	tP40	E9a	40
Ca₄FH₁₆KO₂₈Si₈	Apophyllite	P4/mnc 128	tP116	S52	116
Cl₆K₂Sn	Phase II K₂SnCl₆	P4/mnc 128	tP18		18
Mn₃Si₅U₂	U₂Mn₃Si₅	P4/mnc 128	tP40		40
AgLaO₃Ti	AgLaTiO₄	P4/nmm 129	tP14		14
AgLaOS	LaOAgS	P4/nmm 129	tP8		8
AlF₃	θ-AlF₃	P4/nmm 129	tP64		64
AsCuSiZr	AsCuSiZr	P4/nmm 129	tP8		8
B₁₀Nd₃Ni₂₉Si₄	Nd₃Ni₂₉Si₄B₁₀: A10B3C29D4_tP92_129_2cij_bd_c3i2jk_i-001	P4/nmm 129	tP92		92
Ba₂FInO₃	Ba₂InO₃F	P4/nmm 129	tP14		14
Be₂CaGe₂	CaBe₂Ge₂	P4/nmm 129	tP10		10
BrH₄N	NH₄Br	P4/nmm 129	tP12	B25	12
C₂CoU	UCoC₂	P4/nmm 129	tP8		8
Ca(H₂O)₆O₆P₂U₂	Meta-autunite	P4/nmm 129	tP26	H510	26
CaGaN	CaGaN	P4/nmm 129	tP6		6
ClFPb	Matlockite	P4/nmm 129	tP6	E01	6
CsF₄Fe	CsFeF₄ II	P4/nmm 129	tP24		24
Cu₂Sb	Cu₂Sb (C38)	P4/nmm 129	tP6	C38	6
Cu₃Ti₂	Ti₂Cu₃	P4/nmm 129	tP10		10
CuGaO₃SSr₂	Sr₂CuGaSO₃: ABC3DE2_tP16_129_a_c_cf_c_2c-001	P4/nmm 129	tP16		16
CuHfSi₂	HfCuSi₂	P4/nmm 129	tP8		8
CuTi	γ-CuTi (B11)	P4/nmm 129	tP4	B11	4
FLaO	LaOF	P4/nmm 129	tP6		6
IOPr	PrOI	P4/nmm 129	tP6		6
LaSe₂	La Se_{1.85}	P4/nmm 129	tP6		6
MoNTa	TaMoN	P4/nmm 129	tP6		6
Np	β-Np (A_{d})	P4/nmm 129	tP4	Ad	4
OPb	Litharge	P4/nmm 129	tP4	B10	4
P₂U	High-Temperature UP₂	P4/nmm 129	tP6		6
PPt₃Sr	SrPt₃P	P4/nmm 129	tP10		10
Ba₅Si₃	Ba₅Si₃	P4/ncc 130	tP32		32
Bi₂CuO₄	CuBi₂O₄	P4/ncc 130	tP28		28
H₁₈O₁₀Sr	Sr	P4/ncc 130	tP116		116
O₂V	Room Temperature Metastable VO₂	P4/ncc 130	tP48		48
O₃W	α-WO₃	P4/ncc 130	tP16		16
O₅SiSr₃	Sr₃SiO₅: A5BC3_tP36_130_cg_b_cf-001	P4/ncc 130	tP36		36
B₂C₂La	LaB₂C₂	P42/mmc 131	tP10		10
IPdTe	PdTeI	P42/mmc 131	tP12		12
PtS	Cooperite (PtS, B17)	P42/mmc 131	tP4	B17	4
AgF₆U	AgUF₆	P42/mcm 132	tP16		16
Cu₂Rb₂S₄Ti	Rb₂TiCu₂S₄	P42/mcm 132	tP18		18
H₃PZr₃	Zr₃PD₃	P42/nbc 133	tP64		64
SV₃	β-V₃S	P42/nbc 133	tP32		32
B	T-50 B (A_{g})	P42/nnm 134	tP50	Ag	50
Bi₄FFe₅O₁₃	Bi₄Fe₅O₁₃F	P42/mbc 135	tP108		108
O₂Se	Downeyite	P42/mbc 135	tP24	C47	24
O₄Pb₃	Minium-T	P42/mbc 135	tP28		28
O₄Sb₂Zn	ZnSb₂O₄	P42/mbc 135	tP28		28
Al₂Zr₃	Zr₃Al₂	P42/mnm 136	tP20		20
Ba₃S₇Zr₂	Tetragonal Ba₃Zr₂S₇	P42/mnm 136	tP48		48
BeO	β-BeO	P42/mnm 136	tP8		8
BFe₁₄Nd₂	Nd₂Fe₁₄B	P42/mnm 136	tP68		68
Bi₁₈Mn₅Rh₆	Rh₆Mn₅Bi₁₈	P42/mnm 136	tP58		58
BLi₃N₂	α-Li₃BN₂	P42/mnm 136	tP12		12
Cl₄CuH₄K₂O₂	K₂CuCl₄ cdot 2H₂O	P42/mnm 136	tP26	H41	26
Cr₄Fe₄Ni₄PdRh₂	σ-CrFe	P42/mnm 136	tP30	D8b	30
F₃Na₃O₈P₂V₂	Na₃V₂	P42/mnm 136	tP76		76
Fe₂O₇SrTb₂	SrTb₂Fe₂O₇	P42/mnm 136	tP48		48
Fe₄Si₂Zr	ZrFe₄Si₂	P42/mnm 136	tP14		14
Hg₂Na₃	Na₃Hg₂	P42/mnm 136	tP20		20
In₃Ir	IrIn₃	P42/mnm 136	tP16		16
N	γ-N	P42/mnm 136	tP4		4
O₂Ti	Rutile	P42/mnm 136	tP6	C4	6
O₆Sb₂Zn	Ordoñezite	P42/mnm 136	tP18		18
OV₈	α'-V₈O	P42/mnm 136	tP18		18
U	β-U (A_{b})	P42/mnm 136	tP30	Ab	30
B₄CeCo₄	CeCo₄B₄	P42/nmc 137	tP18		18
BD₄K	Low Temperature KBD₄	P42/nmc 137	tP12		12
CoLi₆O₄	Li₆CoO₄	P42/nmc 137	tP22		22
HgI₂	Orange (II) HgI₂	P42/nmc 137	tP24		24
HgI₂	Coccinite (Red HgI₂, C13)	P42/nmc 137	tP6	C13	6
O₂Zr	ZrO₂	P42/nmc 137	tP6		6
P₂Zn₃	Zn₃P₂	P42/nmc 137	tP40	D59	40
C	C (T12 Group IV)	P42/ncm 138	tP12		12
Cl	Cl (A18) Structure ( Obsolete ): A_tP16_138_j-001	P42/ncm 138	tP16	A18	16
La₂NiO₄	Tetragonal La₂NiO₄	P42/ncm 138	tP28		28
Al₂Ge₈Sc₁₁	Sc₁₁Al₂Ge₈	I4/mmm 139	tI84		84
Al₃Ti	Al₃Ti (D0₂₂)	I4/mmm 139	tI8	D022	8
Al₃Zr	Al₃Zr (D0₂₃)	I4/mmm 139	tI16	D023	16
Al₄Ba	D1₃	I4/mmm 139	tI10	D13	10
As₂Mn₃O₂Sr₂	Sr₂Mn₃As₂O₂	I4/mmm 139	tI18		18
As₄Ba₂Fe₂OTi₂	Ba₂Ti₂Fe₂As₄O	I4/mmm 139	tI22		22
As₄Ca₂F₂Fe₄K	KCa₂Fe₄As₄F₂ Structure	I4/mmm 139	tI26		26
Au₂Nb₃	Au₂Nb₃	I4/mmm 139	tI10		10
AuCl₃Cs	AuCsCl₃	I4/mmm 139	tI20	K76	20
B₂CLuNi₂	LuNi₂B₂C	I4/mmm 139	tI12		12
Ba₂CaCu₂O₈Sr₂	Bi₂Sr₂CaCu₂O₈	I4/mmm 139	tI30		30
Ba₂CuO₄	0201 [	I4/mmm 139	tI14		14
Ba₃Ge₁₆Ir₄	Ba₃Ir₄Ge₁₆	I4/mmm 139	tI46		46
BaBi₄O₁₅Ti₄	High Temperature BaBi₄Ti₄O₁₅ m = 4 Aurivillius	I4/mmm 139	tI48		48
BaSb₂Zn	BaZnSb₂	I4/mmm 139	tI16		16
Bi₄O₁₁V₂	γ-Bi₄V₂O₁₁	I4/mmm 139	tI64		64
C	Hypothetical Tetrahedrally Bonded Carbon with 4-Member Rings Model	I4/mmm 139	tI8		8
C_{x}Fe	Martensite Type FeC_{x}	I4/mmm 139	tI4	L'20	4
C₂Ca	CaC₂-I	I4/mmm 139	tI6	C11a	6
Ca(H₂O)_{10.5}(PO₄)₂(UO₂)₂	H5₉ [Autunite Ca	I4/mmm 139	tI10	H59	10
Ca₃Cl₂Cu₂O₄	Ca₃Cu₂O₄Cl₂: A3B2C2D4_tI22_139_ae_e_e_g-001	I4/mmm 139	tI22		22
CeIn₇Pt₂	CePt₂In₇	I4/mmm 139	tI20		20
Cl₂CuO₂Sr₂	Sr₂CuO₂Cl₂	I4/mmm 139	tI14		14
Cl₄K₂O₂Os	K₂OsO₂Cl₄	I4/mmm 139	tI18	J15	18
Cl₆(H₂O)₂K₃Tl	K₃TlCl₆cdot2H₂O	I4/mmm 139	tI168	J31	168
Cl₇Mn₂Rb₃	Rb₃Mn₂Cl₇	I4/mmm 139	tI24		24
ClHg	Calomel	I4/mmm 139	tI8	D31	8
CLi₂N₂	Li₂CN₂	I4/mmm 139	tI10		10
ClO₅Sc₂Sr₃	Sr₃Sc₂O₅Cl₂	I4/mmm 139	tI24		24
Co₂S₂Tl	TlCo₂S₂	I4/mmm 139	tI10		10
Cr₂Si₂Th	ThCr₂Si₂	I4/mmm 139	tI10		10
Cu₄Ti₃	Ti₃Cu₄	I4/mmm 139	tI14		14
CuNd₂O₄		I4/mmm 139	tI14		14
F₄K₂Ni	K₂NiF₄	I4/mmm 139	tI14		14
Fe₈N	Fe₈N (D2_{g})	I4/mmm 139	tI18	D2g	18
FeLiO₂	β-LiFeO₂	I4/mmm 139	tI4		4
Ge₁₀Ho₁₁	Ho₁₁Ge₁₀	I4/mmm 139	tI84		84
H₂Th	ThH₂	I4/mmm 139	tI6	L'2b	6
HgNa₂O₂	Na₂HgO₂	I4/mmm 139	tI10		10
In	In (A6)	I4/mmm 139	tI2	A6	2
In₆Si₄Tb₁₁	Tb₁₁Si₄In₆	I4/mmm 139	tI84		84
Mn₁₂Th	Mn₁₂Th (D2_{b})	I4/mmm 139	tI26	D2b	26
MoSi₂	MoSi₂ (C11_{b})	I4/mmm 139	tI6	C11b	6
Nd₄Ni₃O₈	Nd₄Ni₃O₈	I4/mmm 139	tI30		30
O₁₀Sr₄Ti₃	Sr₄Ti₃O₁₀	I4/mmm 139	tI34		34
O₇Sr₃Ti₂	Sr₃Ti₂O₇	I4/mmm 139	tI24		24
Pa	Pa (A_{a})	I4/mmm 139	tI2	Aa	2
Pt₈Ti	Pt₈Ti	I4/mmm 139	tI18		18
ReSi₂	ReSi₂	I4/mmm 139	oI6		6
Si	Hypothetical BCT5 Si	I4/mmm 139	tI4		4
V₄Zn₅	V₄Zn₅	I4/mmm 139	tI18		18
Al₂Cu	Khatyrkite (Al₂Cu, C16)	I4/mcm 140	tI12	C16	12
B₃Cr₅	Cr₅B₃	I4/mcm 140	tI32	D8l	32
BaFK₂O₄P	K₂BaPO₄F: ABC2D4E_tI36_140_a_c_h_l_b-001	I4/mcm 140	tI36		36
BaLa₂O₅Zn	BaLa₂ZnO₅	I4/mcm 140	tI36		36
Br₃CH₆NPb	Low Temperature Body-Centered Tetragonal CH₃NH₃PbBr₃	I4/mcm 140	tI272		272
Br₅(NH₄)Pb₂		I4/mcm 140	tI32	K34	32
Br₅(NH₄)Pb₂		I4/mcm 140	tI32	K34	32
Cl₅CoCs₃	Cs₃CoCl₅	I4/mcm 140	tI36	K31	36
CuF₃K	Tetragonal Perovskite KCuF₃	I4/mcm 140	tI20		20
F₂HK	KHF₂	I4/mcm 140	tI16	F52	16
Ga₅Pd	PdGa₅	I4/mcm 140	tI24		24
MnU₆	U₆Mn	I4/mcm 140	tI28	D2c	28
O₃SrZr	γ-SrZrO₃ Tetragonal Perovskite	I4/mcm 140	tI20		20
Pu₃₁Rh₂₀	Pu₃₁Rh₂₀	I4/mcm 140	tI204		204
Sb₂SiV₄	V₄SiSb₂	I4/mcm 140	tI28		28
SeTl	β-SeTl (B37)	I4/mcm 140	tI16	B37	16
Si₃W₅	W₅Si₃	I4/mcm 140	tI32	D8m	32
SiU₃	α-SiU₃ (D0_{c})	I4/mcm 140	tI16	D0c	16
BaCd₁₁	BaCd₁₁	I41/amd 141	tI48		48
Bi₂CdO₄	Bi₂CdO₄	I41/amd 141	tI112		112
BiCdO₄Y	BiYCdO₄	I41/amd 141	tI112		112
BMo	MoB	I41/amd 141	tI16	Bg	16
Cl₄Th	β-ThCl₄	I41/amd 141	tI20		20
Cr₂CuO₄	CuCr₂O₄	I41/amd 141	tI28		28
Cu₄O₃	Paramelaconite (Cu₄O₃)	I41/amd 141	tI28		28
FeLiO₂	γ-LiFeO₂	I41/amd 141	tI16		16
Ga₂Hf	Ga₂Hf	I41/amd 141	tI24		24
HgI₂	Orange (I) HgI₂	I41/amd 141	tI48		48
In₂S₃	β-In₂S₃	I41/amd 141	tI80		80
Li₂O₄W	Li₂WO₄	I41/amd 141	tI112		112
LiSn	β-LiSn	I41/amd 141	tI24		24
Mn₃O₄	Haussmannite (Mn₃O₄)	I41/amd 141	tI28		28
Mo₂N	β-Mo₂N_{1-x}	I41/amd 141	tI12		12
NbP	NbP ( 40 )	I41/amd 141	tI8	``40''	8
O₁₆V₁₃	V₁₃O₁₆	I41/amd 141	tI116		116
O₂Ti	Anatase	I41/amd 141	tI12	C5	12
O₄SiZr	Zircon	I41/amd 141	tI24	S11	24
Sn	β-Sn (A5)	I41/amd 141	tI4	A5	4
ThSi₂	α-ThSi₂ (C_{c})	I41/amd 141	tI12	Cc	12
AlH₂NaO₇Si₂	Analcime	I41/acd 142	tI184	S61	184
As₂Cd₃	Cd₃As₂	I41/acd 142	tI160		160
Au₃Zn	R₁ Au₃Zn	I41/acd 142	tI64		64
BaCo₂O₈V₂	BaCo₂V₂O₈	I41/acd 142	tI104		104
Be₃P₂	Tetragonal Be₃P₂	I41/acd 142	tI160		160
Er₅Rh₆Sn₁₈	Er₅Rh₆Sn₁₈	I41/acd 142	tI232		232
IrO₄Sr₂	Sr₂IrO₄	I41/acd 142	tI56		56
NaPb	NaPb	I41/acd 142	tI64		64
PdSn₂	α-PdSn₂	I41/acd 142	tI48		48
PPrS₄	PPrS₄	I41/acd 142	tI96		96
S	S-III	I41/acd 142	tI16		16

Trigonal (258)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
Al₄O₁₄Ta₃	Simpsonite	P3 143	hP21		21
Al₅Mo	Trigonal (h') Al₅Mo	P3 143	hP60		60
BLi₃O₉W	P3 La₃BWO₉	P3 143	hP28		28
Cl₂Cu₆O₁₀V₂	Averievite [Cu₅O₂	P3 143	hP21		21
MoS₂	Trigonal MoS₂	P3 143	hP12		12
Ge₄Ir	IrGe₄	P31 144	hP15		15
NO₃Rb	RbNO₃	P31 144	hP45		45
TeZn	ZnTe	P31 144	hP6		6
C₂Ca₃F₃NaO₇	Sheldrickite	P32 145	hP48		48
Ag₃IS	γ-Ag₃SI	R3 146	hR5		15
FePSe₃	FePSe₃	R3 146	hR10		30
Li₂O₆TeZr	Li₂ZrTeO₆	R3 146	hR10		30
LiO₄PZn	Rhombohedral LiZnPO₄	R3 146	hR42		126
P₃Pd₇	Pd₇P₃	R3 146	hR20		60
STl₂	Carlinite	R3 146	hR27		81
AgZn	γ-AgZn (B_{b})	P-3 147	hP9	Bb	9
B₂Ru₃U	URu₃B₂	P-3 147	hP48		48
BaNa₂NiO₈P₂	Na₂BaNi	P-3 147	hP14		14
Bi₂Pt	PtBi₂	P-3 147	hP9		9
ClCsCu₅O₂(VO₄)₂	Trigonal Averievite [	P-3 147	hP86		86
CsO₈S₂V	CsV	P-3 147	hP12		12
Na₂O₃S	Na₂SO₃	P-3 147	hP12	G32	12
AgAsS₂	Trechmannite (AgAsS₂)	R-3 148	hR24		72
Al₃₀Mg₂₃	Mg₂₃Al₃₀	R-3 148	hR53		159
AlO₄P	Calcined AlPO₄-34	R-3 148	hR36		108
AlPd	PdAl	R-3 148	hR26		78
As₂BaNi₂O₈	BaNi₂As₂O₈	R-3 148	hR13		39
BaMo₆S₈	BaMo₆S₈	R-3 148	hR15		45
Be₂O₄Si	Phenakite	R-3 148	hR42	S13	126
BiI₃	Rhombohedral BiI₃ (D0₅)	R-3 148	hR8	D05	24
C₂₄Cl₃H₆₆Si₆Sn₇	Sn₁₄Cl₆	R-3 148	hR212		636
C₂CaMgO₆	Dolomite [MgCa	R-3 148	hR10	G11	30
C₈H₈	Solid Cubane (C₈H₈)	R-3 148	hR16		48
Cl₁₂Sc₇	Sc₇Cl₁₂	R-3 148	hR19		57
Cl₂Pd	β-PdCl₂	R-3 148	hR18		54
Cl₃Cu₉H₁₉O₁₉Y₃	Y₃Cu₉	R-3 148	hR63		189
Cl₆(H₂O)₆NiSn	Ni	R-3 148	hR14	I61	42
Cr₂S₃	Rhombohedral Cr₂S₃	R-3 148	hR10		30
Cu₆H₁₂O₂₄Si₆	Dioptase [Cu₆	R-3 148	hR48		144
CuF₆Zr	β-CuZrF₆	R-3 148	hR8		24
Fe₂O₁₂S₃	Mikasaite	R-3 148	hR34		102
FePSe₃	FePSe₃	R-3 148	hR10		30
FeTiO₃	Ilmenite (FeTiO₃, E2₂)	R-3 148	hR10	E22	30
H₆K₂O₆Sn	K₂Sn	R-3 148	hR15	H62	45
Li₇O₆Ta	Li₇TaO₆	R-3 148	hR15		45
Mg₃O₆Te	Mg₃TeO₆	R-3 148	hR20		60
Mn₇O₁₂Sr	SrMn₇O₁₂	R-3 148	hR20		60
P₂Pd₁₅	Pd₁₅P₂	R-3 148	hR17		51
S	S₆ (ρ-S) Sulfur	R-3 148	hR6		18
MnO₆PbTe	PbMnTeO₆	P312 149	hP9		9
OTi₃	Ti₃O	P312 149	hP24		24
AlKO₈S₂	Steklite [KAl	P321 150	hP12	H32	12
As₂Cl₉Cs₃	Cs₃As₂Cl₉	P321 150	hP14	K73	14
As₂O₁₄Pb₃TeZn₃	Dugganite	P321 150	hP23		23
BaC₂CaO₆	Paralstonite	P321 150	hP30		30
Cl₂H₁₂O₆Sr	SrCl₂cdot	P321 150	hP21		21
F₆Na₂Th	β-Na₂ThF₆	P321 150	hP9		9
Fe₂P	Original Fe₂P (C22)	P321 150	hP9	C22	9
KO₃S	KSO₃	P321 150	hP30	K11	30
C₅V₆	V₆C₅	P3112 151	hP33		33
Cl₃Cr	CrCl₃	P3112 151	hP24	D04	24
AlAsO₄	Alarsite (AlAsO₄)	P3121 152	hP18		18
B₂O₃	Trigonal B₂O₃	P3121 152	hP15		15
Ga₃Ge₆Ni₁₃	Ni₁₃Ga₃Ge₆	P3121 152	hP66		66
O₂Si	α	P3121 152	hP9		9
Se	γ-Se (A8)	P3121 152	hP3	A8	3
Cl₃Cr	CrCl₃	P3212 153	hP24		24
Li₄O₇P₂	Trigonal Li₄P₂O₇	P3212 153	hP39		39
Ag₂RbS₄Sb	RbAg₂SbS₄	P3221 154	hP24		24
EuIr₂P₂	EuIr₂P₂	P3221 154	hP15		15
HgS	Cinnabar (HgS, B9)	P3221 154	hP6	B9	6
S	S-II	P3221 154	hP9		9
Al₉ErNi₃	ErNi₃Al₉	R32 155	hR26		78
AlF₃	AlF₃ (D0₁₄)	R32 155	hR8	D014	24
BBe₂F₂KO₃	KBe₂BO₃F₂	R32 155	hR9		27
BGdO₃	Low Temperature GdBO₃	R32 155	hR30		90
C₃CaMg₃O₁₂	Huntite [CaMg₃	R32 155	hR20		60
Ni₃S₂	Hazelwoodite (Ni₃S₂, D5_{e})	R32 155	hR5	D53	15
BiITe	BiTeI	P3m1 156	hP3		3
CdI₂	CdI₂ (Polytype 6H₁)	P3m1 156	hP9		9
CuI	β-CuI (Kurdyumova)	P3m1 156	hP12		12
CuI	β-CuI (Sakuma)	P3m1 156	hP4		4
KNaO₄S	Belomarinaite	P3m1 156	hP14		14
Ag₅O₆Pb₂	Ag₅Pb₂O₆	P31m 157	hP13		13
Al₄Pt	PtAl₄	P3c1 158	hP102		102
Cl₃Ru	β-RuCl₃	P3c1 158	hP8		8
BaCo₄O₇Yb	YbBaCo₄O₇	P31c 159	hP26		26
Bi₂O₃	HP-Bi₂O₃	P31c 159	hP20		20
N₄Si₃	α-Si₃N₄	P31c 159	hP28		28
Al₈Cr₅	Cr₅Al₈	R3m 160	hR26	D810	78
As₃Sn₄	Sn₄As₃	R3m 160	hR7		21
BaO₃Ti	Rhombohedral BaTiO₃	R3m 160	hR5		15
BrKO₃	KBrO₃	R3m 160	hR5	G07	15
Cl₈Na₂Ti₃	γ-Na₂Ti₃Cl₈	R3m 160	hR13		39
COS	Carbonyl Sulphide (COS, F0₂)	R3m 160	hR3	F02	9
CrCuS₂	CrCuS₂	R3m 160	hR4		12
CrHO₂	Grimaldiite	R3m 160	hR4		12
CSi	Moissanite-15R	R3m 160	hR10	B7	30
CSi	Moissanite 9R (CSi)	R3m 160	hR6		18
Fe₃O₇P	Fe₃PO₇	R3m 160	hR11		33
Fe₅GeTe₂	Fe_{5-delta}GeTe₂	R3m 160	hR8		24
FeO₃(OH)₂Si	Cronstedtite {Fe	R3m 160	hR7	S57	21
GaMo₄S₈	Low Temperature GaMo₄S₈	R3m 160	hR13		39
GaSe	γ-GaSe	R3m 160	hR4		12
GeTe	GeTe	R3m 160	hR2		6
H₃S	H₃S (130 GPa)	R3m 160	hR4		12
I₃S₂₄Sb	SbI₃S₂₄	R3m 160	hR28		84
KNO₃	γ-Potassium Nitrate (KNO₃)	R3m 160	hR5		15
MoS₂	Rhombohedral MoS₂	R3m 160	hR3		9
NiS	Millerite (NiS, B13)	R3m 160	hR6	B13	18
Ag₃AsS₃	Proustite (Ag₃AsS₃)	R3c 161	hR14		42
B₂BaO₄	α-BaB₂O₄	R3c 161	hR42		126
C₂FeH₆MgNaO₇	Stepanovite	R3c 161	hR96		288
Ge₃La₄S₁₂	La₄Ge₃S₁₂	R3c 161	hR38		114
LiNbO₃	Ferroelectric LiNbO₃	R3c 161	hR10		30
Au₇IP₁₀	Trigonal Au₇P₁₀I	P-31m 162	hP18		18
BiI₃	Hexagonal BiI₃	P-31m 162	hP8		8
Cl₂(H₂O)₆Sr	I1₃ [SrCl₂cdot	P-31m 162	hP9	I13	9
NV₂	β-V₂N	P-31m 162	hP9	L'32	9
O₆PbSb₂	Rosiaite	P-31m 162	hP9		9
AgC₂KN₂	KAg	P-31c 163	hP36	F510	36
AlCaF₆Li	Colquiriite	P-31c 163	hP18		18
Cr₅S₆	Trigonal Cr₅S₆	P-31c 163	hP22		22
F₆NaSb	NaSbF₄	P-31c 163	hP16	J112	16
GeNa₂O₆Te	β-Na₂GeTeO₆	P-31c 163	hP20		20
Mn₃Si₂Te₆	Mn₃Si₂Te₆	P-31c 163	hP22		22
Si₂Te₃	Si₂Te₃	P-31c 163	hP40		40
AgBiSe₂	Bohdanowiczite (AgBiSe₂)	P-3m1 164	hP12		12
Al₃Ni₂	Al₃Ni₂ (D5₁₃)	P-3m1 164	hP5	D513	5
AlCl₃	D0₁₃ (AlCl₃) Structure ( Obsolete ): AB3_hP4_164_a_bd-001	P-3m1 164	hP4	D013	4
AlKMo₂O₈	KAl	P-3m1 164	hP12		12
Ba₃O₉SrTa₂	Ba₃SrTa₂O₉	P-3m1 164	hP15		15
BaMnNa₂O₈V₄	Trigonal Na₂BaMn	P-3m1 164	hP14		14
Bi₄MnTe₇	MnBi₄Te₇	P-3m1 164	hP12		12
BiSe	Nevskite (BiSe)	P-3m1 164	hP12		12
Ca₂O₄Si	Trigonal α-Ca₂SiO₄	P-3m1 164	hP14		14
CdI₂	ω Phase (CdI₂, C6)	P-3m1 164	hP3	C6	3
Ce₂O₂S	Ce₂O₂S	P-3m1 164	hP5		5
Cl₂Cu₃(OH)₆Zn	Kapellasite	P-3m1 164	hP12		12
Cl₂Cu₇O₂(PO₄)₂	Averievite [	P-3m1 164	hP45		45
Cl₃Cu₃H₆O₆Y	YCu₃	P-3m1 164	hP21		21
ClCsCu₅O₂(PO₄)₂	Averievite [	P-3m1 164	hP21		21
Cu_{1-x}Fe_{x}S₄	Nukundamite [	P-3m1 164	hP8		8
Cu₂LiP₂Tb	TbLiCu₂P₂	P-3m1 164	hP6		6
CuI	β-CuI (Keen-Hull)	P-3m1 164	hP6		6
CuNiSb₂	Zlatogorite (CuNiSb₂)	P-3m1 164	hP4		4
F₆GeK₂	K₂GeF₆	P-3m1 164	hP9	J113	9
Fe₆(NH₄)₂Si	Bararite [Trigonal	P-3m1 164	hP9	J16	9
H₁₆Li₂Mg	Predicted Li₂MgH₁₆ 300 GPa	P-3m1 164	hP19		19
H₂MgO₂	Brucite [Mg	P-3m1 164	hP5		5
Hg₇K₂	K₂Hg₇	P-3m1 164	hP9		9
HgPt₂Se₃	Jacutingaite	P-3m1 164	hP12		12
K₂O₈P₂RbSc	K₂RbSc	P-3m1 164	hP14		14
K₂Pt(SCN)₆	K₂Pt(SCN)₆ (H6₃)	P-3m1 164	hP9	H63	9
K₃NaO₈S₂	Aphthitalite/Glaserite [K₃Na	P-3m1 164	hP14		14
La₂O₃	La₂O₃ (D5₂)	P-3m1 164	hP5	D52	5
LaLi₃Sb₂	LaLi₃Sb₂	P-3m1 164	hP6		6
Li₁₃Sn₅	Li₁₃Sn₅	P-3m1 164	hP18		18
Li₇Pb₂	Li₇Pb₂	P-3m1 164	hP9		9
NW₂	delta_{H}^{II}-NW₂	P-3m1 164	hP9		9
P₂Pd₃S₈	Pd₃P₂S₈	P-3m1 164	hP13		13
Al₃Li₉O₂₉P₈	Li₉Al₃	P-3c1 165	hP98		98
Cu₃P	Cu₃P (D0₂₁)	P-3c1 165	hP24	D021	24
H₃Ho	H₃Ho	P-3c1 165	hP24		24
Mn₄Nb₂O₉	Nb₂Mn₄O₉	P-3c1 165	hP30		30
Al_{3.8}Ca_{1.4}H₂₆O₃₇Si_{8.3}Sr_{0.3}	Chabazite	R-3m 166	hR62	S34(I)	186
Al₃Ho	HoAl₃	R-3m 166	hR20		60
Al₄AuCeGe₂	CeAuAl₄Ge₂	R-3m 166	hR8		24
Al₄C₃	Al₄C₃ (D7₁)	R-3m 166	hR7	D71	21
Al₆C₃N₂	Al₆C₃N₂	R-3m 166	hR11		33
Al₈C₃N₄	Al₈C₃N₄	R-3m 166	hR15		45
AlF₆K₂Li	High Temperature K₂LiAlF₆	R-3m 166	hR20		60
As	α-As (A7)	R-3m 166	hR2	A7	6
B	β-B (R-105)	R-3m 166	hR105		315
B	α-B (R-12)	R-3m 166	hR12		36
B₁₃C₂	B₁₃C₂ B₄C (D1_{g})	R-3m 166	hR15	D1g	45
B₅Mo₂	Mo₂B₅	R-3m 166	hR7	D8i	21
Ba₃Cr₂O₈	Ba₃Cr₂O₈	R-3m 166	hR13		39
Ba₄NbO₁₂Ru₃	Ba₄NbRu₃O₁₂	R-3m 166	hR20		60
BaO₃Ru	9R BaRuO₃	R-3m 166	hR15		45
BaPb₃	BaPb₃	R-3m 166	hR12		36
BCTh₂	ThB₂C	R-3m 166	hR12		36
Be₁₇Nb₂	Nb₂Be₁₇	R-3m 166	hR19		57
Be₃Nb	NbBe₃	R-3m 166	hR12		36
Bi₂MnTe₄	MnBi₂Te₄	R-3m 166	hR7		21
Bi₂STe₂	Tetradymite	R-3m 166	hR5		15
Bi₂Te₃	Bi₂Te₃ (C33)	R-3m 166	hR5	C33	15
Bi₄Te₃	Bi₄Te₃	R-3m 166	hR7		21
Bi₆MnTe₁₀	MnBi₆Te₁₀	R-3m 166	hR17		51
BrZr	ZrBr	R-3m 166	hR4		4
C	Rhombohedral Graphite	R-3m 166	hR2		6
C₂TaV	Ta₂VC₂	R-3m 166	hR6		18
CaC₆	CaC₆	R-3m 166	hR7		21
CaCu₄P₂	CaCu₄P₂	R-3m 166	hR7		21
CaO₄U	CaUO₄	R-3m 166	hR6		18
CaSi₂	CaSi₂ (C12)	R-3m 166	hR6	C12	18
CdCl₂	CdCl₂	R-3m 166	hR3		9
Ce₄Ga₅Rh₉	Ce₄Ga₅Rh₉	R-3m 166	hR18		54
Ce₅Co₁₉	Ce₅Co₁₉	R-3m 166	hR24		72
Ce₅Ga₇Rh₁₂	Ce₅Ga₇Rh₁₂	R-3m 166	hR24		72
Ce₇Ga₁₁Rh₁₈	Ce₇Ga₁₁Rh₁₈	R-3m 166	hR36		108
Cl₂Cu₃H₆O₆Zn	Herbertsmithite	R-3m 166	hR18		54
Cl₈Mn₃Na₂	Na₂Mn₃Cl₈	R-3m 166	hR13		39
ClZr	Rhombohedral ZrCl	R-3m 166	hR4		4
Co₇Er₂	Er₂Co₇	R-3m 166	hR18		54
CrNaS₂	Caswellsilverite (CrNaS₂, F5₁)	R-3m 166	hR4	F51	12
CsSb₆V₆	CsV₆Sb₆	R-3m 166	hR13		39
Cu₃K₃P₂	K₃Cu₃P₂: A3B3C2_hR8_166_d_ac_c-001	R-3m 166	hR8		24
CuFeO₂	Rhombohedral Delafossite (CuFeO₂)	R-3m 166	hR4		12
CuPt	Rhombohedral CuPt (L1₁)	R-3m 166	hR2	L11	6
CuS₄Ti₂	Rhombohedral CuTi₂S₄	R-3m 166	hR28		84
Fe₂O₄Yb	YbFe₂O₄	R-3m 166	hR7		21
Fe₃Sn₂	Fe₃Sn₂	R-3m 166	hR10		30
Fe₄GeTe₂	Fe₄GeTe₂	R-3m 166	hR10		30
Fe₇W₆	Fe₇W₆ (D8₅) μ-phase	R-3m 166	hR13	D85	39
FeNaO₂	α-NaFeO₂	R-3m 166	hR4		12
FOY	YOF	R-3m 166	hR6		18
GaRh₃Y₂	Y₂Rh₃Ga	R-3m 166	hR6		18
GeSb₂Te₄	GeSb₂Te₄	R-3m 166	hR7		21
Hf₃N₂	ε-Hf₃N₂	R-3m 166	hR6		18
Hf₄N₃	ζ-Hf₄N₃	R-3m 166	hR8		24
Hg	α-Hg (A10)	R-3m 166	hR1	A10	3
HKS	KSH	R-3m 166	hR2	B22	6
In₃Te₄	In₃Se₄	R-3m 166	hR7		21
ISSm	SmSI	R-3m 166	hR6		18
KNO₃	β-Potassium Nitrate (KNO₃)	R-3m 166	hR8		24
La₃Mn₂O₁₄Sb₃	Mn₂La₃Sb₃O₁₄	R-3m 166	hR22		66
Li₂Mn₃O₇	Li₂Mn₃O₇	R-3m 166	hR4		12
Li₈Pb₂	Li₈Pb₂	R-3m 166	hR11		33
LiNiO₂	LiNiO₂	R-3m 166	hR4		12
Ni₃Pb₂S₂	Shandite (Ni₃Pb₂S₂)	R-3m 166	hR7		21
O	β-O₂	R-3m 166	hR2		6
P₃Sn	SnP₃	R-3m 166	hR8		24
P₃Sn₄	Sn₄P₃	R-3m 166	hR7		21
P₄Sn₃	Sn₃P₄	R-3m 166	hR19		57
Po	β-Po (A_i)	R-3m 166	hR1	Ai	3
Sm	α-Sm (C19)	R-3m 166	hR3	C19	9
Sn₃Sr	SrSn₃	R-3m 166	hR16		48
TaTi₇	TaTi₇ (BCC SQS-16)	R-3m 166	hR16		48
Th₂Zn₁₇	Th₂Zn₁₇	R-3m 166	hR19		57
AgO₃Ru	AgRuO₃	R-3c 167	hR20		60
Al₂O₃	Corundum (α-alumina, Al₂O₃, D5₁)	R-3c 167	hR10	D51	30
Al₅Mo	Rhombohedral Al₅Mo	R-3c 167	hR12		36
B₂BaO₄	β-BaB₂O₄	R-3c 167	hR42		126
BKO₂	KBO₂	R-3c 167	hR24	F513	72
CCaO₃	Calcite	R-3c 167	hR10	G01	30
Cl₆FeK₃Na	Rinneite	R-3c 167	hR22		66
Cl₉Cs₃Tl₂	Cs₃Tl₂Cl₉	R-3c 167	hR28	K72	84
CrCl₃(H₂O)₆	CrCl₃(H₂O)₆ (J2₂)	R-3c 167	hR20	J22	60
Cs₆O₃₆W₁₁	Cs₆W₁₁O₃₆	R-3c 167	hR106		318
Cu₂O₁₁Ta₄	Cu₂Ta₄O₁₁	R-3c 167	hR36		108
F₃Fe	FeF₃	R-3c 167	hR8	D012	24
LiONbO₃	Paraelectric LiNbO₃	R-3c 167	hR10		30
MoO₁₁P₃Si	MoP₃SiO₁₁	R-3c 167	hR64		192
Na₃O₁₂PSi₂Zr₂	True High Nasicon	R-3c 167	hR54		162
NiO₃Pr	PrNiO₃ Rhombohedral Perovskite	R-3c 167	hR10		30
Re₂₅Zr₂₁	Zr₂₁Re₂₅	R-3c 167	hR92		276
Rh₃ScSi₇	ScRh₃Si₇	R-3c 167	hR22		66

Hexagonal (249)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
AlO₄P	Computational AlPO₄-5	P6 168	hP72		72
F₄K₂O₉Ta₄	K₂Ta₄O₉F₄	P6 168	hP57		57
Al₂S₃	Al₂S₃	P61 169	hP30		30
AlNaO₄Si	Hexagonal Trinepheline	P61 169	hP168		168
Cl₅GaOSe	GaSeCl₅O	P61 169	hP48		48
Al₂S₃	Al₂S₃	P65 170	hP30		30
CsKMoO₉P₂	KCsMoP₂O₉	P65 170	hP84		84
B₁₀H₁₀Mn₁₀	MnB₁₀H₁₀	P62 171	hP63		63
O₁₀S₂Sr	Sr[S₂O₆][H₂O]₄	P62 171	hP39		39
O₁₀S₂Sr	Sr[S₂O₆][H₂O]₄	P64 172	hP39		39
Al_{8-x}Na_{8-x}O₃₂Si_{8+x}	Sodium nepheline	P63 173	hP64		64
Al₃CCaNa₃O₁₅Si₃	Crancrinite	P63 173	hP52	S33(I)	52
BaMgO₄Si	BaMgSiO₄	P63 173	hP42		42
BLa₃O₉W	P6₃ La₃BWO₉	P63 173	hP28		28
CuLa₃S₇Si	La₃CuSiS₇	P63 173	hP24		24
FeNb₃S₆	Edgarite (FeNb₃S₆) P6₃	P63 173	hP20		20
I₃P	PI₃	P63 173	hP8		8
ILiO₃	α-LiIO₃	P63 173	hP10		10
KLiO₄S	LiKSO₄	P63 173	hP14	H14	14
N₄Si₃	β-Si₃N₄	P63 173	hP14		14
Ag_{5-x}Te₃	Stützite (Ag_{5-x}Te₃)	P-6 174	hP57		57
Fe₁₂P₇Zr₂	Fe₁₂Zr₂P₇	P-6 174	hP21		21
Ga₉O₂S₁₃Tl₃	Tl₃Ga₉S₁₃O₂	P-6 174	hP27		27
GdIS	GdSI	P-6 174	hP12		12
P₄Rh₆Sc	ScRh₆P₄	P-6 174	hP11		12
Ag₅₁Gd₁₄	Ag₅₁Gd₁₄	P6/m 175	hP68		68
B₈Nb₇Ru₆	Nb₇Ru₆B₈	P6/m 175	hP21		21
Ge₁₃Na₄	Na₄Ge₁₃	P6/m 175	hP58		58
HMgN	Mg[NH]	P6/m 175	hP36		36
Al₉O₅₅P₉		P63/m 176	hP146		146
B₃CCa₄Mn₃O₁₅	Gaudefroyite Ca₈Mn₆[	P63/m 176	hP60		60
B₈Nb₇Rh₆	Nb₇Rh₆B₈	P63/m 176	hP126		126
B₉Ba₃O₁₈Y	YBa₃B₉O₁₈	P63/m 176	hP62		62
C₉Fe₂O₉	Fe₂	P63/m 176	hP40	F41	40
Ca₅FO₁₂P	Fluorapatite [Ca₅F	P63/m 176	hP42	H57	42
Cl₃U	UCl₃	P63/m 176	hP8		8
Cl₉K₃W₂	K₃W₂Cl₉	P63/m 176	hP28	K71	28
Co_{15.5}Na₅O₃₆Te₆	Na₅Co_{15.5}Te₆O₃₆	P63/m 176	hP66		66
Cu₁₀Sb₃	Cu₁₀Sb₃	P63/m 176	hP26		26
Cu₁₀Sn₃	ζ-Cu₁₀Sn₃	P63/m 176	hP26		26
Er₃Ru₂	Er₃Ru₂	P63/m 176	hP10		10
Fe₃Te₃Tl	TlFe₃Te₃	P63/m 176	hP14		14
LaRu₃Si₂	LaRu₃Si₂	P63/m 176	hP12		12
N₄Si₃	β-Si₃N₄	P63/m 176	hP14		14
Nb₃Te₄	Nb₃Te₄	P63/m 176	hP14		14
O₂₅P₆Pb₁₀	Lead Apatite [Pb₁₀	P63/m 176	hP44		44
Rh₂₀Si₁₃	Rh₂₀Si₁₃	P63/m 176	hP34		34
S₁₂Th₇	Th₇S₁₂	P63/m 176	hP20	D8k	20
Al₃FeKMgO₁₈S₆	Indialite	P622 177	hP60		60
C₇ClFeH₁₅NO₈	[Fe	P622 177	hP444		444
O₂Si	Hypothetical Hexagonal SiO₂	P622 177	hP36		36
AuF₃	AuF₃	P6122 178	hP24		24
Cl₃CsCu	CsCuCl₃	P6122 178	hP30		30
Ir₃Zr₅	Zr₅Ir₃	P6122 178	hP48		48
Sc	Sc-V (High-Pressure)	P6122 178	hP6		6
AuF₃	AuF₃	P6522 179	hP24		24
BH₄O₁₂P₂Sc	Sc	P6522 179	hP120		120
C₈Cs	CsC₈	P6222 180	hP27		27
CeO₄P	Rhadophane	P6222 180	hP18		18
CrSi₂	CrSi₂ (C40)	P6222 180	hP9	C40	9
Hg₂INaO₂	Hg₂O₂NaI	P6222 180	hP18		18
Mg₂Ni	Mg₂Ni (C_{a})	P6222 180	hP18	Ca	18
O₂Si	β	P6222 180	hP9	C8	9
AlLiO₄Si	β-Eucryptite	P6422 181	hP84		84
AlO₄P	β-Berlinite	P6422 181	hP18		18
Au₂C₄CoN₄	Co[Au	P6422 181	hP66		66
O₂Si	β	P6422 181	hP9	C8	9
Al₂BaO₄	BaAl₂O₄	P6322 182	hP18	H28	18
Al₅W	WAl₅	P6322 182	hP12		12
Co₂Na₂O₆Te	Na₂Co₂TeO₆	P6322 182	hP44		44
CoNb₃S₆	CoNb₃S₆	P6322 182	hP20		20
Fe₃C	Bainite (Fe₃C)	P6322 182	hP8		8
ILiO₃	E2₃	P6322 182	hP10	E23	10
PbTa₂S₆	PbTa₂S₆	P6322 182	hP20		20
AuCN	AuCN	P6mm 183	hP3		3
CrFe₃NiSn₅	CrFe₃NiSn₅	P6mm 183	hP6		6
Ta₂₁Te₁₃	Ta₂₁Te₁₃	P6mm 183	hP136		136
Al₆C₉NO₂₄P₆		P6cc 184	hP110		110
AlO₄P	AlPO₄-5	P6cc 184	hP72		72
NaP₃S₁₂Ti₂	NaTi₂	P6cc 184	hP188		188
AsNa₃	Na₃As	P63cm 185	hP24		24
Cl₃KNi	KNiCl₃	P63cm 185	hP30		30
Cl₃Ru	β-RuCl₃	P63cm 185	hP8		8
Cu₃P	Cu₃P	P63cm 185	hP24		24
LuMnO₃	LuMnO₃	P63cm 185	hP30		30
O₂₄Os_{6.3}Sr₈	Sr₈Os_{6.3}O₂₄	P63cm 185	hP118		118
Pd₅Sb₂	Stibiopalladinite (Pd₅Sb₂)	P63cm 185	hP42		42
Al₂N₂Ti₂	Ti₃Al₂N₂	P63mc 186	hP22		22
Al₅C₃N	Al₅C₃N (E9₄)	P63mc 186	hP18	E94	18
Al₇C₃N₃	Al₇C₃N₃	P63mc 186	hP26		26
AlO₄P	Hexagonal high-temperature tridymite AlPO₄: AB4C_hP12_186_b_bc_b-001	P63mc 186	hP12		12
BaCaO₄Si	BaCaSiO₄	P63mc 186	hP56		56
Be₄NaSbO₇	Swedenborgite	P63mc 186	hP26	E92	26
BH₄Li	High-temperature LiBH₄ structure: AB4C_hP12_186_b_bc_b-002	P63mc 186	hP12		12
Bi₂O₃	HPC-Bi₂O₃	P63mc 186	hP20		20
BN	Original BN (B12) Structure ( Obsolete ): AB_hP4_186_b_a-001	P63mc 186	hP4	B12	4
Br(H₂O)₉NdO₉	Nd	P63mc 186	hP44	G22	44
C	Buckled Graphite	P63mc 186	hP4		4
Ca₅Pb₃	Ca₅Pb₃	P63mc 186	hP48		48
CdClHO	Cd	P63mc 186	hP8	E03	8
CdI₂	C27 (CdI₂) Structure ( Questionable ): AB2_hP6_186_b_ab-001	P63mc 186	hP6	C27	6
Ce₂₄Co₁₁	Ce₂₄Co₁₁	P63mc 186	hP70		70
ClH₆LiO₇	LiClO₄cdot3H₂O	P63mc 186	hP30	H418	30
CoLiO₂	O4-LiCoO₂	P63mc 186	hP16		16
CoLiO₂	O2-LiCoO₂	P63mc 186	hP8		8
CSi	Moissanite-4H SiC	P63mc 186	hP8	B5	8
Fe₃Th₇	Fe₃Th₇ (D10₂)	P63mc 186	hP20	D102	20
GaGeLi	LiGaGe Crystal	P63mc 186	hP6		6
GaSe	δ-GaSe	P63mc 186	hP16		16
Mo₃O₈Zn₂	Zn₂Mo₃O₈	P63mc 186	hP26		26
NbS	Low Temperature Nb_{1-x}S	P63mc 186	hP16		16
SiC	Moissanite-6H SiC (B6)	P63mc 186	hP12	B6	12
SZn	Wurtzite	P63mc 186	hP4	B4	4
AgC₂Li	LiAgC₂	P-6m2 187	hP4		4
As₃Cr₃K₂	Cr-233 Quasi-One-Dimensional Superconductor	P-6m2 187	hP16		16
B₂InTi₂	Ti₂InB₂	P-6m2 187	hP5		5
BaPtSb	BaPtSb	P-6m2 187	hP3		3
Co₆LiP₄	LiCo₆P₄	P-6m2 187	hP11		11
Cs₇O	Cs₇O	P-6m2 187	hP24		24
CuI	β-CuI (Bührer-Hälg)	P-6m2 187	hP6		6
CW	Tungsten Carbide	P-6m2 187	hP2	Bh	2
GaSe	ε-GaSe	P-6m2 187	hP8		8
InNbS₂	InNbS₂	P-6m2 187	hP4		4
InS₂Ta	InTaS₂	P-6m2 187	hP4		4
NOTaZr	ZrTaNO	P-6m2 187	hP4		4
NRe₃	Re₃N	P-6m2 187	hP4		4
B₂Be₂O₇Sr₂	Sr₂Be₂B₂O₇	P-6c2 188	hP26		26
BaSi₄O₉	BaSi₄O₉ (S3₂)	P-6c2 188	hP28	S32	28
I₃LiSc	LiScI₃	P-6c2 188	hP10		10
LaO₁₉Ta₇	LaTa₇O₁₉	P-6c2 188	hP54		54
Al₈FeMg₃Si₆	π-FeMg₃Al₈Si₆	P-62m 189	hP18	E9b	18
Al₉FeMg₃Si₅	π-FeMg₃Al₉Si₅	P-62m 189	hP18		18
AlNiZr	ZrNiAl	P-62m 189	hP9		9
As₂CoZr₃	Zr₆CoAs₂: A2BC6_hP9_189_c_b_fg-002	P-62m 189	hP9		9
Au₇IP₁₀	Hexagonal Au₇P₁₀I	P-62m 189	hP18		18
Ca₅Ir₃O₁₂	Ca₅Ir₃O₁₂	P-62m 189	hP20		20
CrCsF₄	CsCrF₄	P-62m 189	hP18		18
F₆K₂U	beta₁-K₂UF₆	P-62m 189	hP9		9
Fe₂P	Barringerite (Revised Fe₂P, C22) Crystal	P-62m 189	hP9	C22	9
Ga₂Mn₃SiTb₃	Tb₃Mn₃Ga₂Si	P-62m 189	hP9		9
NaO	NaO	P-62m 189	hP12		12
Pd₅Th₃	Th₃Pd₅	P-62m 189	hP8		8
CCeFO₃	Bastnäsite [CeF	P-62c 190	hP36	G71	36
CsO₃S	CsSO₃	P-62c 190	hP20	K12	20
Er₂RhSi₃	Er₂RhSi₃	P-62c 190	hP24		24
FeS	Troilite (FeS)	P-62c 190	hP24		24
Ge₅Sm₃	α-Sm₃Ge₅	P-62c 190	hP16		16
Li₂Sb	Li₂Sb	P-62c 190	hP18		18
Al₃Zr₄	Zr₄Al₃	P6/mmm 191	hP7		7
Al₉BaFe₂	BaFe₂Al₉	P6/mmm 191	hP12		12
AlB₂	Hexagonal ω	P6/mmm 191	hP3	C32	3
AlB₄Mg	AlB₄Mg	P6/mmm 191	hP6		6
As₄ClKO₆	Lucabindiite	P6/mmm 191	hP12		12
Be₁₂Ti	D2_{a}	P6/mmm 191	hP13	D2a	13
CaCu₅	CaCu₅ (D2_{d})	P6/mmm 191	hP6	D2d	6
CoSn	CoSn (B35)	P6/mmm 191	hP6	B35	6
Cu₂Te	Cu₂Te (C_{h})	P6/mmm 191	hP6	Ch	6
Fe₆Ge₆Hf	HfFe₆Ge₆	P6/mmm 191	hP13		13
Fe₆Ge₆Li	LiFe₆Ge₆	P6/mmm 191	hP39		39
H₂₄LaSc₂	Predicted LaSc₂H₂₄ Superconducting	P6/mmm 191	hP27		27
HgSn_{6-10}	Simple Hexagonal (HgSn_{6-10} A_{f})	P6/mmm 191	hP1	Af	1
KSb₅V₃	KV₃Sb₅	P6/mmm 191	hP9		9
Li₃N	Li₃N	P6/mmm 191	hP4		4
N₃TaTi₂	Ti₂TaN₃	P6/mmm 191	hP6		6
O₃W	Hexagonal WO₃	P6/mmm 191	hP12		12
Al₂Be₃O₁₈Si₆	Beryl	P6/mcc 192	hP58	S31	58
Al₃KMg₂O₁₅Si₁₂	Osumilite	P6/mcc 192	hP96		96
AlO₄P	Disordered	P6/mcc 192	hP72		72
AlO₄P	AlPO₄-54	P63/mcm 193	hP108		108
BO₃Tm	Ordered TmBO₃	P63/mcm 193	hP30		30
F₃La	D0₆	P63/mcm 193	hP24	D06	24
Ga₄Ti₅	Ti₅Ga₄	P63/mcm 193	hP18		18
Ga₇Ir₅Yb₆	Yb₆Ir₅Ga₇	P63/mcm 193	hP36		36
La₃Sb₅Ti	La₃TiSb₅: A3B5C_hP18_193_g_dg_b-001	P63/mcm 193	hP18		18
Mn₅Si₃	Mavlyanovite (Mn₅Si₃, D8₈)	P63/mcm 193	hP16	D88	16
Al₂₃V₄	Al₂₃V₄	P63/mmc 194	hP54		54
Al₂O₃	β-Alumina (D5₆, Al₂O₃)	P63/mmc 194	hP60	D56	60
Al₃Pu	Hexagonal PuAl₃	P63/mmc 194	hP24		24
Al₅Co₂	Co₂Al₅	P63/mmc 194	hP28	D811	28
Al₉Mn₃Si	Al₉Mn₃Si (E9_{c})	P63/mmc 194	hP26	E9c	26
AlCCr₂	AlCCr₂	P63/mmc 194	hP8		8
AlN₃Ti₄	AlN₃Ti₄	P63/mmc 194	hP16		16
AsNa₃	Na₃As	P63/mmc 194	hP8	D018	8
AsNi	Nickeline	P63/mmc 194	hP4	B81	4
AsTi	AsTi (B_{i})	P63/mmc 194	hP8	Bi	8
B₂BaPt₃	Ba_{x}Pt₃B₂	P63/mmc 194	hP12		12
B₂Re	ReB₂	P63/mmc 194	hP6		6
B₃Re	ReB₃	P63/mmc 194	hP8		8
B₅W₂	W₂B₅	P63/mmc 194	hP14	D8h	14
Ba₃CoIr₂O₉	Hexagonal Ba₃CoIr₂O₉	P63/mmc 194	hP30		30
Ba₆Nd₂O₁₇Ti₄	Ba₆Nd₂Ti₄O₁₇	P63/mmc 194	hP58		58
BaLi₄	BaLi₄	P63/mmc 194	hP30		30
BaMnO₃	4H BaMnO₃	P63/mmc 194	hP20		20
BaNiO₃	BaNiO₃	P63/mmc 194	hP10		10
BaO₃Ti	Hexagonal BaTiO₃	P63/mmc 194	hP30		30
BCLi	LiBC	P63/mmc 194	hP6		6
Be₃N₂	β-Be₃N₂	P63/mmc 194	hP10		10
BGdO₃	High Temperature GdBO₃	P63/mmc 194	hP10		10
BN	BN (B_{k})	P63/mmc 194	hP4	Bk	4
BO₃Y	Disordered YBO₃	P63/mmc 194	hP18		18
BrCu₄FH₆O₆	Barlowite [Cu₄FBr	P63/mmc 194	hP40		40
C	Hexagonal Graphite	P63/mmc 194	hP4	A9	4
C	Lonsdaleite	P63/mmc 194	hP4		4
C	Hypothetical Tetrahedrally Bonded Carbon with 3-Member Rings Model	P63/mmc 194	hP6		6
C₄Co₃W₉	Co₃W₉C₄	P63/mmc 194	hP32		32
Ca₂O₄Si	Hexagonal α-Ca₂SiO₄	P63/mmc 194	hP32		32
CaIn₂	CaIn₂	P63/mmc 194	hP6		6
CCaO₃	Hexagonal Vaterite	P63/mmc 194	hP26		26
Ce₂Ni₇	Ce₂Ni₇	P63/mmc 194	hP36		36
CeH₉	CeH₉	P63/mmc 194	hP20		20
CeNi₃	CeNi₃	P63/mmc 194	hP24		24
Cl₉Cr₂Cs₃	Cs₃Cr₂Cl₉	P63/mmc 194	hP28		28
CMo	CMo	P63/mmc 194	hP12		12
Co₂LiNaO₄	OP4-LiNaCo₂O₄	P63/mmc 194	hP18		18
Co₃V	VCo₃	P63/mmc 194	hP24		24
CoGa₃Lu₂	Lu₂CoGa₃	P63/mmc 194	hP24		24
CoNa_{0.74}O₂	Na_{0.74}CoO₂	P63/mmc 194	hP10		10
CoOSr	SrCoO: ABC_hP6_194_a_b_c-001	P63/mmc 194	hP6		6
Cr₃SiU₂	U₂Cr₃Si	P63/mmc 194	hP12		12
CuFeO₂	Hexagonal Delafossite (CuFeO₂)	P63/mmc 194	hP8		8
CuS	Covellite (CuS, B18)	P63/mmc 194	hP12	B18	12
EuIn₂P₂	EuIn₂P₂	P63/mmc 194	hP10		10
Fe₁₂O₁₉Pb	Magnetoplumbite	P63/mmc 194	hP64		64
Fe₂N	L'3₀ (approximate Fe₂N)	P63/mmc 194	hP4	L'30	4
Fe₃GeTe₂	Fe₃GeTe₂	P63/mmc 194	hP12		12
GaSe	β-GaSe	P63/mmc 194	hP8		8
H₁₀Hf	Proposed 300 GPa HfH₁₀	P63/mmc 194	hP22		22
H₂Na₂O₉Si₂Zr	S3₄	P63/mmc 194	hP36	S34(II)	36
InNi₂	InNi₂ (B8₂)	P63/mmc 194	hP6	B82	6
La	α-La (A3')	P63/mmc 194	hP4	A3'	4
LiO	LiO	P63/mmc 194	hP8		8
LiZn₂	LiZn₂ (C_{k})	P63/mmc 194	hP4	Ck	4
Mg	Hexagonal Close Packed (Mg, A3, hcp)	P63/mmc 194	hP2	A3	2
Mg₄Sr	SrMg₄	P63/mmc 194	hP90		90
MgNi₂	MgNi₂ Hexagonal Laves (C36)	P63/mmc 194	hP24	C36	24
MgZn₂	MgZn₂ Hexagonal Laves (C14)	P63/mmc 194	hP12	C14	12
MoNiP₂	NiMoP₂	P63/mmc 194	hP8		8
MoS₂	Molybdenite (MoS₂, C7)	P63/mmc 194	hP6	C7	6
Na₁₃Pb₅	Na₁₃Pb₅ (γ-NaPb)	P63/mmc 194	hP36		36
Na₉Pb₄	Na₉Pb₄ (δ'-NaPb)	P63/mmc 194	hP26		26
NbS₂	Hexagonal High-Temperature NbS₂	P63/mmc 194	hP6		6
NbSe₂	Low Temperature NbSe₂	P63/mmc 194	hP24		24
Ni₁₇Th₂	Th₂Ni₁₇	P63/mmc 194	hP38		38
Ni₃Sn	Ni₃Sn (D0₁₉)	P63/mmc 194	hP8	D019	8
Ni₃Ti	Ni₃Ti (D0₂₄)	P63/mmc 194	hP16	D024	16
O₂Si	β-Tridymite	P63/mmc 194	hP12	C10	12
Pt₂Sn₃	Pt₂Sn₃ (D5_{b})	P63/mmc 194	hP10	D5b	10
S₂SnTa	SnTaS₂	P63/mmc 194	hP8		8
Sn₅Ti₆	Hexagonal Ti₆Sn₅	P63/mmc 194	hP22		22

Cubic (281)

Compound	Name	Space group	Pearson	Strukturbericht	Atoms
As₇Cd₈Cl	Cd₈As₇Cl	P23 195	cP20		20
P₁₂PrRu₄	PrRu₄P₁₂	P23 195	cP34		34
Al₁₀Ca₁₄O₃₅Zn₆	Ca₁₄Zn₆Al₁₀O₃₅	F23 196	cF260		260
C₆Cu₂FeN₆	Cu₂Fe[CN]₆	F23 196	cF60		60
Li₂₂Si₅	Li₂₂Si₅	F23 196	cF432		432
Al₆O₁₆SSr₄	High-Temperature Sr₄Al₆O₁₆S	I23 197	cI86		86
Bi₂O₃	γ-Bi₂O₃	I23 197	cI66		66
Ga₄Ni	Ga₄Ni	I23 197	cI40		40
Hf₁₀S₃Ta₃	Hf₁₀Ta₃S₃	I23 197	cI64		64
AlNaO₄Si	α-Carnegieite	P213 198	cP28	S65	28
CaNa₂O₄Si	Na₂CaSiO₄	P213 198	cP32	S66	32
ClF₃Sn₂	Sn₂F₃Cl	P213 198	cP24		24
CO	α-CO (B21)	P213 198	cP8	B21	8
CsO₆W₂	Low Temperature CsW₂O₆	P213 198	cP72		72
Cu₂O₄Se	Cubic Cu₂OSeO₃	P213 198	cP56		56
FeSi	FeSi (B20)	P213 198	cP8	B20	8
H₃N	Ammonia	P213 198	cP16	D01	16
K₂Mg₂O₁₂S₃	Langbeinite [K₂Mg₂	P213 198	cP76		76
N	α-N (P2₁3)	P213 198	cP8		8
NaClO₃	Sodium Chlorate (NaClO₃, G0₃)	P213 198	cP20	G03	20
NiSSb	Ullmanite (NiSSb, F0₁)	P213 198	cP12	F01	12
O₄SnW	β-SnWO₄	P213 198	cP24		24
O₈W₂Zr	Low-Temperature ZrW₂O₈	P213 198	cP44		44
Cl₂Hg₃S₂	Corderoite	I213 199	cI28		28
CoU	CoU (B_{a})	I213 199	cI16	Ba	16
NO₂	C26_{a} (NO₂) ( Obsolete )	I213 199	cI36	C26a	36
Al₂₀Ni₃Ru₅	C-AlRuNi (Al₂₀Ni₃Ru₅)	Pm-3 200	cP31		31
CsHgN₃O₆	CsHgN₃O₆	Pm-3 200	cP11		11
H₁₂Li	Theoretical Cubic LiH₁₂	Pm-3 200	cP13		13
Mg₂Zn₁₁	Mg₂Zn₁₁ (D8_{c})	Pm-3 200	cP39	D8c	39
Bi₃O₁₁Ru₃	Bi₃Ru₃O₁₁	Pn-3 201	cP68		68
Br₇KW₃	KW₃Br₇	Pn-3 201	cP90		90
Cd₃₇Ce₆	Ce₆Cd₃₇	Pn-3 201	cP188		188
Cl₇CuMo₃	CuMo₃Cl₇	Pn-3 201	cP88		88
KO₃Sb	KSbO₃	Pn-3 201	cP60		60
B₆H₆K	KB₆H₆	Fm-3 202	cF104		104
C	FCC C₆₀ Buckminsterfullerene	Fm-3 202	cF240		240
CoK₃N₆O₁₂	K₃Co	Fm-3 202	cF88	J24	88
CuF₆Zr	α-CuZrF₆	Fm-3 202	cF56		56
AsRb₃Se₁₆	Rb₃AsSe₁₆	Fd-3 203	cF160		160
C₂ClCoNa₃O₆	Pyrochlore	Fd-3 203	cF208		208
C₄Mg₂Na₆O₁₆S	Tychite	Fd-3 203	cF232		232
Al₁₂W	Al₁₂W	Im-3 204	cI26		26
AlMg₃₂Zn₄₈	Bergman [Mg₃₂	Im-3 204	cI162	D8e	162
As₃Co	Skutterudite	Im-3 204	cI32	D02	32
Be₁₇Ru₃	Ru₃Be₁₇	Im-3 204	cI160		160
Br₃(CH₃)(NH₃)Pb	High Pressure Phase II	Im-3 204	cI56		56
CaCu₃Mn₄O₁₂	CaCu₃Mn₄O₁₂	Im-3 204	cI40		40
Cd₆Y	YCd₆	Im-3 204	cI184		184
IrSrO₃	β-SrIrO₃ Perovskite	Im-3 204	cI90		90
LaFe₄P₁₂	LaFe₄P₁₂	Im-3 204	cI34		34
Mn₇NaO₁₂	NaMn₇O₁₂	Im-3 204	cI40		40
NO₂	Modern C26 (NO₂)	Im-3 204	cI36	C26	36
Al₂Ca₃O₆	Ca₃Al₂O₆	Pa-3 205	cP264		264
Al₈O₂₁Pb₉	Al₈Pb₉O₂₁	Pa-3 205	cP152		152
AlC₂H₃₆N₂O₂₀S₂	β-Alum [Al	Pa-3 205	cP252	H414	252
AlH₂₄KO₂₀S₂	α-Alum [KAl	Pa-3 205	cP224	H413	224
AlH₂₄NaO₂₀S₂	γ-Alum [AlNa	Pa-3 205	cP192	H415	192
B₂CaO₄	CaB₂O₄	Pa-3 205	cP84		84
B₃H₁₂Y	Room-Temperature Y	Pa-3 205	cP128		128
Br₂(H₂O)₆O₆Zn	Zn	Pa-3 205	cP60	J110	60
Br₂H₁₂MgO₁₂	Mg	Pa-3 205	cP108	J110	108
C	Simple Cubic C₆₀ Buckminsterfullerene	Pa-3 205	cP240		240
C₂N	Hexacyanobenzene (C₂N)	Pa-3 205	cP72		72
ClCu	SC16	Pa-3 205	cP16		16
Cr(H₂O)₁₂NaO₈S₂	NaCr	Pa-3 205	cP96		96
F₆NaSb	NaSbF₆	Pa-3 205	cP32		32
FeS₂	Pyrite (FeS₂, C2)	Pa-3 205	cP12	C2	12
I₄Sn	SnI₄	Pa-3 205	cP40		40
N	α-N (Pa-3)	Pa-3 205	cP8		8
N₂(NH₃)₆NiO₆	H6₄ [Ni	Pa-3 205	cP60	H64	60
N₂O₆Pb	Pb	Pa-3 205	cP36	G21	36
O₈W₂Zr	High-Temperature ZrW₂O₈	Pa-3 205	cP60		60
P₂O₇Zr	ZrP₂O₇	Pa-3 205	cP40	K61	40
AlLi₃N₂	AlLi₃N₂ (E9_{d})	Ia-3 206	cI96	E9d	96
Mn₂O₃	Bixbyite (Mn₂O₃, D5₃)	Ia-3 206	cI80	D53	80
O₈Te₃Zr	ZrTe₃O₈	Ia-3 206	cI96		96
Si	BC8 (Si)	Ia-3 206	cI16		16
NO₃Rb	RbNO₃	P432 207	cP33		33
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	P432 207	cP64		64
C₆Cs₂FeN₆Zn	Cs₂ZnFe[CN]₆	P4232 208	cP64		64
H₃P	H₃P	P4232 208	cP16		16
Na₁₁O₁₆U₅	Na₁₁U₅O₁₆	P4232 208	cP64		64
C₁₄CuH₈O₅	PCN-20 [C₁₄CuO	F432 209	cF1344		1344
F₆KP	KPF₆	F432 209	cF104		104
B₁₂H₃₆MgO₁₂	MgB₁₂H₁₂[H₂O]₁₂	F4132 210	cF488		488
H₆O₆Te	Te[OH]₆	F4132 210	cF608		608
O₂Si	Hypothetical Cubic SiO₂	I432 211	cI72		72
BLi₂Pt₃	Li₂Pd₃B	P4332 212	cP24		24
C₇V₈	V₈C₇	P4332 212	cP60		60
Fe₂O₃	γ-Fe₂O₃ (D5₇)	P4332 212	cP60	D57	60
Fe₅LiO₈	{alpha}-LiFe₅O₈	P4332 212	cP56		56
Ge₃Li₂NiO{5}	Li₂NiGe₃O₅	P4332 212	cP56		56
Si₂Sr	SrSi₂	P4332 212	cP12		12
Al₂CMo₃	Al₂Mo₃C	P4132 213	cP24		24
Co₈Mn₃Zn₉	Co₈Zn₉Mn₃	P4132 213	cP20		20
CuO₆SrTe₂	SrCuTe₂O₆	P4132 213	cP120		120
Mg₃Ru₂	Mg₃Ru₂	P4132 213	cP20		20
Mn	β-Mn (A13)	P4132 213	cP20	A13	20
Ag₃AuTe₂	Petzite (Ag₃AuTe₂)	I4132 214	cI48		48
Ca₃I₃P	Ca₃PI₃	I4132 214	cI56		56
La₃Rh₄Sn₁₃	La₃Rh₄Sn₁₃	I4132 214	cI320		320
Al₄Cu₉	γ-brass	P-43m 215	cP52	D83	52
AsCu₃S₄	Cubic Lazarevićite (AsCu₃S₄)	P-43m 215	cP8		8
CFe₄	Fe₄C	P-43m 215	cP5		5
Cu₃S₄V	Sulvanite (Cu₃S₄V, H2₄)	P-43m 215	cP8	H24	8
Ni₂Tm	Intermediate Temperature TmNi₂	P-43m 215	cP24		24
NV	VN	P-43m 215	tP8		8
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	P-43m 215	cP64		64
AgAsMg	Half–Heusler (AgAsMg, C1_{b})	F-43m 216	cF12	C1b	12
Al₁₃ClF₁₈O₂₀Si₅	Zunyite [Al₁₃	F-43m 216	cF228	S08	228
Al₁₃Cr₄Si₄	Al₁₃Cr₄Si₄	F-43m 216	cF84		84
AlN	Theoretical cF40 AlN	F-43m 216	cF40		40
AlO₄P	β	F-43m 216	cF56		56
AuBe₅	AuBe₅ (C15_{b})	F-43m 216	cF24	C15b	24
AuLiMgSn	Quaternary Heusler	F-43m 216	cF16		16
Ba₃In₂O₁₁Zn₅	Ba₃In₂Zn₅O₁₁	F-43m 216	cF168		168
Cd₄₅Sm₁₁	Sm₁₁Cd₄₅	F-43m 216	cF448		448
ClKO₄	High-Temperature Cubic KClO₄	F-43m 216	cF24	H05	24
Cr₄Ga₁₇Pt	Cubic Cr₄PtGa₁₇	F-43m 216	cF88		88
Cr₄GaLiO₈	LiGaCr₄O₈	F-43m 216	cF56		56
Cu₄₁Sn₁₁	δ-Cu₄₁Sn₁₁	F-43m 216	cF416		416
Cu₄MgSn	Cu₄SnMg	F-43m 216	cF24		24
CuHg₂Ti	Hg₂TiCu Inverse Heusler	F-43m 216	cF16		16
F₁₆O₄₀Ti₁₂Y₆Zn₅	Murataite [	F-43m 216	cF316		316
GaMo₄S₈	Room Temperature GaMo₄S₈	F-43m 216	cF52		52
Gd₄InRh	Gd₄RhIn	F-43m 216	cF96		96
Li₁₇Pb₄	Li₁₇Pb₄	F-43m 216	cF420		420
Ni₂Tm	Low Temperature TmNi₂	F-43m 216	cF192		192
Pt₃Zn₁₀	Pt₃Zn₁₀	F-43m 216	cF392		392
SZn	Zincblende	F-43m 216	cF8	B3	8
Al₁₂Mg₁₇	Mg₁₇Al₁₂	I-43m 217	cI58		58
AlN	Theoretical cI16 AlN	I-43m 217	cI16		16
AsCu₁₂S₁₃	Tennantite	I-43m 217	cI82		82
Ba₄Ga₈Sn₁₅	α-Ba₈Ga₁₆Sn₃₀ Clathrate	I-43m 217	cI54		54
Cu₅Zn₈	γ-Brass (Cu₅Zn₈, D8₂)	I-43m 217	cI52	D82	52
F₄Si	SiF₄	I-43m 217	cI10	D12	10
Mn	α-Mn (A12)	I-43m 217	cI58	A12	58
S₄Tl₃V	Tl₃VS₄	I-43m 217	cI16		16
Ag₃O₄P	Ag₃	P-43n 218	cP16	H21	16
Al₃ClNa₄O₁₂Si₃	Sodalite [Na₄	P-43n 218	cP46	S62	46
Al₆Ca_{2.4}K_{1.6}Na₄O₃₀S_{1.5}Si₆	Hauyne [	P-43n 218	cP76	S69	76
BHO₂	γ-HBO₂	P-43n 218	cP96		96
GeK	KGe	P-43n 218	cP64		64
Li₇MnN₄	Li₇MnN₄	P-43n 218	cP96		96
B₇ClMg₃O₁₃	Boracite	F-43c 219	cF192		192
C₁₆Co₄O₁₆Sn	Sn[Co	F-43c 219	cF296		296
Cl₈Si₃	Si₃Cl₈	F-43c 219	cF176		176
Al₁₄Ca₁₂O₃₃	Mayenite	I-43d 220	cI152	K74	152
AlN	Theoretical cI24 AlN	I-43d 220	cI24		24
AlO₉P₃	Al	I-43d 220	cI208	G52	208
Au₃Sb₄Y₃	Y₃Au₃Sb₄	I-43d 220	cI40		40
Bi₄O₁₂Si₃	Eulytine	I-43d 220	cI76	S15	76
C₃Pu₂	Pu₂C₃	I-43d 220	cI40	D5c	40
Cu₁₅Si₄	Cu₁₅Si₄ (D8₆)	I-43d 220	cI76	D86	76
Li	High-pressure cI16 Li	I-43d 220	cI16		16
P₄Th₃	Th₃P₄	I-43d 220	cI28	D73	28
(NH₄)(NO₃)	NH₄NO₃ I	Pm-3m 221	cP2	G08	2
Al₂Ca₃O₆	Ca₃Al₂O₆	Pm-3m 221	cP33	E91	33
AuCu₃	Bogdanovite	Pm-3m 221	cP4	L12	4
B₆Ca	CaB₆	Pm-3m 221	cP7	D21	7
BaHg₁₁	BaHg₁₁ (D2_{e})	Pm-3m 221	cP36	D2e	36
Br₃CH₆NPb	Room Temperature Perovskite CH₃NH₃PbBr₃	Pm-3m 221	cP172		172
CaH₁₂Y	Predicted High-Pressure YCaH₁₂	Pm-3m 221	cP14		14
CaTiO₃	Cubic Perovskite (CaTiO₃, E2₁)	Pm-3m 221	cP5	E21	5
Ce₈Pd₂₄Sb	Ce₈Pd₂₄Sb	Pm-3m 221	cP33		33
ClCs	CsCl	Pm-3m 221	cP2	B2	2
CrFe₁₁MoNi₃	Model of Ferrite Structure	Pm-3m 221	cP16		16
CrFe₂₇MoNi₃	Model of Austenite Structure	Pm-3m 221	cP32		32
Fe₄N	γ'-Fe₄N (L'1₀)	Pm-3m 221	cP5	L'10	5
Fe₄N	Erroneous L'1₀	Pm-3m 221	cP5	L'10	5
NbO	NbO	Pm-3m 221	cP6		6
O₃Re	α-ReO₃	Pm-3m 221	cP4	D09	4
Pd₁₇Se₁₅	Palladseite (Pd₁₇Se₁₅)	Pm-3m 221	cP64		64
Po	α-Po (A_{h}, simple cubic)	Pm-3m 221	cP1	Ah	1
S₃U₄	S₃U₄	Pm-3m 221	cP7		7
C₄CoH₄O₆	Co	Pn-3n 222	cP360		360
Ce₅Mo₃O₁₆	Ce₅Mo₃O₁₆	Pn-3n 222	cP96		96
F₁₀₈H₂₄O₁₁Ti₂₄	'Ti₆F₂₇(H₃O)₃' [F₁₀₈H₂₄O₁₁Ti₂₄]	Pn-3n 222	cP334		334
Mo₃Nd₅O₁₆	Nd₅Mo₃O₁₆	Pn-3n 222	cP144		144
B₃C₃Sr	SrB₃C₃ Clathrate	Pm-3n 223	cP14		14
Ba₃C₆₀	A15 Fullerene (Ba₃C₆₀)	Pm-3n 223	cP126		126
Ba₄Ga₈Sn₁₅	β-Ba₈Ga₁₆Sn₃₀ Clathrate	Pm-3n 223	cP72		72
Cl₂Hg₃S₂	β-Hg₃S₂Cl₂	Pm-3n 223	cP224		224
Cr₃Si	Cr₃Si (A15)	Pm-3n 223	cP8	A15	8
F₂	β-F₂	Pm-3n 223	cP8		8
H₃U	β-UH₃	Pm-3n 223	cP32		32
NaO₄Pt₃	NaPt₃O₄	Pm-3n 223	cP16		16
Rh₄Sn₁₃Yb₃	Yb₃Rh₄Sn₁₃	Pm-3n 223	cP40		40
Si	Si₄₆ Clathrate	Pm-3n 223	cP46		46
(Ag_{1.48}Cu_{1.44}Fe_{0.32})Te₂	Henryite [(Ag_{1.48}Cu_{1.44}Fe_{0.32})Te₂]	Pn-3m 224	cP12		12
(H₂O)₅O₄₀PW₁₂	12-phosphotungstic acid [H₃PW₁₂O₄₀cdot5H₂O]	Pn-3m 224	cP116	H416	116
(H₃O)₃O₄₀PW₁₂	PW₁₂O₄₀cdot3H₃O	Pn-3m 224	cP112		112
Cu₂O	Cuprite (Cu₂O, C3)	Pn-3m 224	cP6	C3	6
H₁₅O₄₆PW₁₂	Dodecatungstophosphoric Acid Hexahydrate	Pn-3m 224	cP184		184
Mg₃P₂	Mg₃P₂ (D5₅)	Pn-3m 224	cP10	D55	10
AlCu₂Mn	Heusler	Fm-3m 225	cF16	L21	16
AlF₆H₁₂N₃		Fm-3m 225	cF200	J21	200
B₁₂U	UB₁₂	Fm-3m 225	cF52	D2f	52
Ba₂MnO₆W	Double Perovskite	Fm-3m 225	cF40		40
BH₄K	Room Temperature KBD₄	Fm-3m 225	cF40		40
Bi₂O₃	δ-Bi₂O₃	Fm-3m 225	cF36		36
BiF₃	Gananite (BiF₃, D0₃)	Fm-3m 225	cF16	D03	16
C₁₂Cu₃Fe₂(H₂O)_{x}N₁₂	Cu₃[Fe	Fm-3m 225	cF96	J25	96
C₆₀K₃	fcc Fullerene	Fm-3m 225	cF492		492
C₆Cr₂₃	Cr₂₃C₆	Fm-3m 225	cF116	D84	116
Ca₇Ge	Ca₇Ge	Fm-3m 225	cF32		32
CaF₂	Fluorite (CaF₂, C1)	Fm-3m 225	cF12	C1	12
Cl₆K₂Pt	K₂PtCl₆	Fm-3m 225	cF36	J11	36
ClFNa₆O₈S₂	Sulphohalite [Na₆ClF	Fm-3m 225	cF72	H58	72
ClNa	Rock Salt/Halite	Fm-3m 225	cF8	B1	8
Co₉S₈	Co₉S₈ (D8₉)	Fm-3m 225	cF68	D89	68
Cr₉Fe₁₆Ni₇	Model of Ferrite Structure	Fm-3m 225	cF128		128
CrFe₁₈MoNi₈	Model of Austenite Structure	Fm-3m 225	cF108		108
Cu	Face-Centered Cubic (Cu, A1, fcc)	Fm-3m 225	cF4	A1	4
Cu₁₆Mg₆Si₇	Mg₆Si₇Cu₁₆	Fm-3m 225	cF116		116
Cu₂Se	High Temperature Cu₂Se	Fm-3m 225	cF76		76
Cu₅FeS₄	Intermediate Temperature Bornite	Fm-3m 225	cF256		256
CuF₆Zr	α'-CuZrF₆	Fm-3m 225	cF32		32
CuPt₃	L1_{a} (disputed CuPt₃ Structure): AB7_cF32_225_a_bd-001	Fm-3m 225	cF32	L1a	32
H₁₀La	LaH₁₀ High-T_{c} Superconductor	Fm-3m 225	cF44		44
I₄Rb₃Re₃S₄	Rb₃Re₃S₄I₄	Fm-3m 225	cF112		112
Mg₆MnO₈	Mg₆MnO₈	Fm-3m 225	cF60		60
Mn₂₃Th₆	Th₆Mn₂₃	Fm-3m 225	cF116	D8a	116
Ag₁₃O₆Os	Ag₁₃OsO₆	Fm-3c 226	cF160		160
B₃H₁₂Y	High-Temperature Y	Fm-3c 226	cF128		128
Cu₈Ge₃K₄S₁₂	K₄Cu₈Ge₃S₁₂	Fm-3c 226	cF232		232
Mo₇Sn₁₂Zn₄₀	Zn₄₀Mo₇Sn₁₂	Fm-3c 226	cF944		944
NaZn₁₃	NaZn₁₃ (D2₃)	Fm-3c 226	cF112	D23	112
Al₁₀V	Al₁₀V	Fd-3m 227	cF176		176
Al₁₈Cr₂Mg₃	Mg₃Cr₂Al₁₈	Fd-3m 227	cF184		184
Al₂MgO₄	Spinel (Al₂MgO₄, H1₁)	Fd-3m 227	cF56	H11	56
AlH₃	β-Alane	Fd-3m 227	cF64		64
C	T-Carbon	Fd-3m 227	cF32		32
C	Diamond	Fd-3m 227	cF8	A4	8
C₂ClMgNa₃O₆	G7₃ [Na₃MgCl	Fd-3m 227	cF208	G73	208
C₄Mg₂Na₆O₁₆S	H5₆ [Tychite, Na₆Mg₂SO₄	Fd-3m 227	cF232	H56	232
CFe₃W₃	η-carbide	Fd-3m 227	cF112	E93	112
Co₂OTi₄	Ti₄Co₂O	Fd-3m 227	cF112		112
Co₃O₄	Spinel (Co₃O₄, D7₂)	Fd-3m 227	cF56	D72	56
CTi₂	Ti₂C	Fd-3m 227	cF48		48
Cu₂Mg	Cu₂Mg Cubic Laves (C15)	Fd-3m 227	cF24	C15	24
CuPt	Cubic CuPt [L1₃(I), D4]	Fd-3m 227	cF32	L13(I)	32
Dy₅Pd₂	Dy₅Pd₂	Fd-3m 227	cF144		144
Eu₂Ir₂O₇	Pyrochlore Iridate (Eu₂Ir₂O₇, E8₁)	Fd-3m 227	cF88	E81	88
Ga₂O₃	γ-Ga₂O₃	Fd-3m 227	cF120		120
Ge₁₇Na₃	Na_{24-delta}Ge₁₃₆ Clathrate	Fd-3m 227	cF160		160
H₁₆Li₂Mg	Predicted Li₂MgH₁₆ High-T_{c} Superconductor	Fd-3m 227	cF152		152
H₃(H₂O)₂₉O₄₀PW₁₂	H₃PW₁₂O₄₀cdot29H₂O	Fd-3m 227	cF656	H421	656
NaTl	NaTl (B32)	Fd-3m 227	cF16	B32	16
NiTi₂	NiTi₂	Fd-3m 227	cF96		96
O₂Sb	D6₂	Fd-3m 227	cF96	D62	96
O₂Si	Ideal β-Cristobalite	Fd-3m 227	cF24	C9	24
O₃Sb₂	Senarmontite	Fd-3m 227	cF80	D61	80
Si	Si₃₄ Clathrate	Fd-3m 227	cF136		136
Zn₂₂Zr	Zn₂₂Zr	Fd-3m 227	cF184		184
AlFe₈H₁₈K₂O₆₆S₁₂	Voltaite	Fd-3c 228	cF2096		2096
Cl₅CrCuH₁₈N₆	CuCrCl₅[NH₃]₆	Fd-3c 228	cF416		416
H₆O₆Te	Te[OH]₆ Structure	Fd-3c 228	cF224		224
AgI	α-AgI (B23)	Im-3m 229	cI44	B23	44
CaH₆	High Pressure Cubic CaH₆	Im-3m 229	cI14		14
Ce₃Ni₆Si₂	Ce₃Ni₆Si₂	Im-3m 229	cI44		44
CrFe₁₂Ni₃	Model of Austenite Structure	Im-3m 229	cI32		32
CrFe₄Ni₃	Model of Ferrite Structure	Im-3m 229	cI16		16
Dy₆Fe₁₆O	Dy₆Fe₁₆O	Im-3m 229	cI46		46
Fe₃Zn₁₀	γ-brass (Fe₃Zn₁₀, D8₁)	Im-3m 229	cI52	D81	52
Ge₇Ir₃	Ir₃Ge₇	Im-3m 229	cI40	D8f	40
H₃S	High-pressure (200GPa) H₃S	Im-3m 229	cI8		8
Hg₄Pt	β-Hg₄Pt	Im-3m 229	cI10		10
N₂W	Hypothetical SiO₂-like WN₂ structure: A2B_cI36_229_h_d-001	Im-3m 229	cI36		36
O₄Pt₃	Pt₃O₄	Im-3m 229	cI14		14
Sb₂Tl₇	Sb₂Tl₇ (L2₂)	Im-3m 229	cI54	L22	54
W	Body-Centered Cubic (W, A2, bcc)	Im-3m 229	cI2	A2	2
Al₂Ca₃H₁₂O₁₂	Ca₃Al₂	Ia-3d 230	cI232	J23	232
Al₂Co₃O₁₂Si₃	Garnet [S1₄, Co₃Al₂	Ia-3d 230	cI160	S14	160
Al₅O₁₂Y₃	Y₃Al₅O₁₂ Garnet	Ia-3d 230	cI160		160
BCsO₆Si₂	Boropollucite [Cs	Ia-3d 230	cI160		160
Bi₄Rh	RhBi₄	Ia-3d 230	cI120		120
Cl₅Zr₂	Zr₆Cl₁₅	Ia-3d 230	cI336		336
Ga₃Ni₃Zn	Ga₃Ni₃Zn	Ia-3d 230	cI112		112
Ga₄Ni₃	Ga₄Ni₃	Ia-3d 230	cI112		112

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, density, applications, experimental/calculated provenance, DOI/source, coordination number. 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.