Crystal Lab › Prototype structures › Monoclinic

Pb₃TeCo₃P₂O₁₄

Monoclinic · space group P121 (No. 3) · Pearson mP138

Symmetry elements and Wyckoff positions (interactive)

Pb₃TeCo₃P₂O₁₄ in P121

Setting

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Model atom x

x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants: a = 5.214 Å, b = 25.058 Å, c = 14.476 Å; α = 90.00°, β = 90.03°, γ = 90.00°
Cell volume: 1891.4 Å³
Atoms in the conventional cell: 138 (Pb 18, Te 6, Co 18, O 84, P 12)
Formula units Z: 6
Pearson symbol: mP138 — monoclinic, primitive lattice, 138 atoms per conventional cell
Symmetry operations: 2 per cell

Crystallographic sites

Site	Element	Wyckoff	Multiplicity	x	y	z
Pb61	Pb	1a	1	0.0000	0.5314	0.0000
Pb62	Pb	1a	1	0.0000	0.2060	0.0000
Pb63	Pb	1a	1	0.0000	0.8670	0.0000
Te73	Te	1a	1	0.0000	0.3420	0.0000
Te74	Te	1a	1	0.0000	0.0000	0.0000
Te75	Te	1a	1	0.0000	0.6640	0.0000
Pb64	Pb	1b	1	0.0000	0.0266	0.5000
Pb65	Pb	1b	1	0.0000	0.7080	0.5000
Pb66	Pb	1b	1	0.0000	0.3690	0.5000
Te76	Te	1b	1	0.0000	0.8460	0.5000
Te77	Te	1b	1	0.0000	0.5090	0.5000
Te78	Te	1b	1	0.0000	0.1680	0.5000
Co1	Co	1c	1	0.5000	0.4250	0.0000
Co2	Co	1c	1	0.5000	0.0840	0.0000
Co3	Co	1c	1	0.5000	0.7520	0.0000
Co4	Co	1d	1	0.5000	0.9270	0.5000
Co5	Co	1d	1	0.5000	0.5910	0.5000
Co6	Co	1d	1	0.5000	0.2480	0.5000
Co10	Co	2e	2	0.4850	0.7970	0.6260
Co11	Co	2e	2	0.4880	0.6290	0.1200
Co12	Co	2e	2	0.4930	0.1290	0.6340
Co7	Co	2e	2	0.4970	0.9590	0.1140
Co8	Co	2e	2	0.5230	0.4630	0.6320
Co9	Co	2e	2	0.5100	0.3010	0.1190
O13	O	2e	2	0.2100	0.2840	0.0500
O14	O	2e	2	0.2300	0.3520	0.8990
O15	O	2e	2	0.2000	0.3960	0.0680
O16	O	2e	2	0.2100	0.7850	0.5410
O17	O	2e	2	0.2200	0.8460	0.3930
O18	O	2e	2	0.2100	0.8940	0.5690
O19	O	2e	2	0.1670	0.9460	0.0620
O20	O	2e	2	0.1900	0.0560	0.0570
O21	O	2e	2	0.2100	0.0080	0.8920
O22	O	2e	2	0.2200	0.4520	0.5480
O23	O	2e	2	0.2300	0.5150	0.4020
O24	O	2e	2	0.2200	0.5600	0.5620
O25	O	2e	2	0.2200	0.6080	0.0470
O26	O	2e	2	0.2100	0.6740	0.8930
O27	O	2e	2	0.2100	0.7150	0.0650
O28	O	2e	2	0.2100	0.1070	0.5390
O29	O	2e	2	0.2200	0.1730	0.3970
O30	O	2e	2	0.2000	0.2200	0.5670
O31	O	2e	2	0.2530	0.8390	0.1660
O32	O	2e	2	0.6500	0.8890	0.1360
O33	O	2e	2	0.6500	0.7900	0.1040
O34	O	2e	2	0.6700	0.8220	0.2620
O35	O	2e	2	0.7370	0.3380	0.3320
O36	O	2e	2	0.3500	0.2880	0.3930
O37	O	2e	2	0.3300	0.3300	0.2370
O38	O	2e	2	0.3400	0.3880	0.3770
O39	O	2e	2	0.2460	0.1720	0.1630
O40	O	2e	2	0.6600	0.1320	0.0950
O41	O	2e	2	0.6700	0.1630	0.2560
O42	O	2e	2	0.6400	0.2270	0.1220
O43	O	2e	2	0.7440	0.6750	0.3280
O44	O	2e	2	0.3400	0.6290	0.3970
O45	O	2e	2	0.3400	0.6680	0.2320
O46	O	2e	2	0.3500	0.7270	0.3630
O47	O	2e	2	0.2110	0.5130	0.1600
O48	O	2e	2	0.6370	0.4850	0.0780
O49	O	2e	2	0.5900	0.4610	0.2350
O50	O	2e	2	0.5770	0.5598	0.2020
O51	O	2e	2	0.7540	0.0020	0.3220
O52	O	2e	2	0.3400	0.9570	0.3920
O53	O	2e	2	0.3120	0.9910	0.2360
O54	O	2e	2	0.3600	0.0530	0.3690
P55	P	2e	2	0.5460	0.8340	0.1676
P56	P	2e	2	0.4430	0.3360	0.3351
P57	P	2e	2	0.5400	0.1739	0.1608
P58	P	2e	2	0.4500	0.6723	0.3314
P59	P	2e	2	0.5000	0.5040	0.1667
P60	P	2e	2	0.4600	0.0001	0.3273
Pb67	Pb	2e	2	0.9900	0.9047	0.2941
Pb68	Pb	2e	2	0.0030	0.4060	0.7848
Pb69	Pb	2e	2	0.0090	0.2373	0.2950
Pb70	Pb	2e	2	0.9870	0.7370	0.8000
Pb71	Pb	2e	2	0.0130	0.5775	0.2930
Pb72	Pb	2e	2	0.9980	0.0712	0.8060

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 138 atoms drawn above are these sites multiplied by all 2 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

A3B14C2D3E_mP138_3_3c3d6e_42e_6e_3a3b6e_3a3b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP138, then the space-group number 3, then the Wyckoff letters occupied by each element in turn (Pb: 1a; Pb: 1a; Pb: 1a; Te: 1a; Te: 1a; Te: 1a; Pb: 1b; Pb: 1b; Pb: 1b; Te: 1b; Te: 1b; Te: 1b; Co: 1c; Co: 1c; Co: 1c; Co: 1d; Co: 1d; Co: 1d; Co: 2e; Co: 2e; Co: 2e; Co: 2e; Co: 2e; Co: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; O: 2e; P: 2e; P: 2e; P: 2e; P: 2e; P: 2e; P: 2e; Pb: 2e; Pb: 2e; Pb: 2e; Pb: 2e; Pb: 2e; Pb: 2e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Pb₃TeCo₃V₂O₁₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B14C2D3E_mP138_3_3c3d6e_42e_6e_3a3b6e_3a3b-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.

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