Crystal Lab › Prototype structures › Trigonal
Ce₂O₂S
Trigonal · space group P-3m1 (No. 164) · Pearson hP5
Symmetry elements and Wyckoff positions (interactive)
Ce₂O₂S in P-3m1
SettingUnit cell
- Lattice constants
- a = 4.000 Å, b = 4.000 Å, c = 6.820 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 94.5 ų
- Atoms in the conventional cell
- 5 (S 1, Ce 2, O 2)
- Formula units Z
- 1
- Pearson symbol
- hP5 — hexagonal / trigonal, primitive lattice, 5 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S3 | S | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Ce1 | Ce | 2d | 2 | 0.3333 | 0.6667 | 0.2900 |
| O2 | O | 2d | 2 | 0.3333 | 0.6667 | 0.6400 |
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 5 atoms drawn above are these sites multiplied by all 12 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
A2B2C_hP5_164_d_d_a-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP5, then the space-group number 164, then the Wyckoff letters occupied by each element in turn (S: 1a; Ce: 2d; O: 2d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
BaCd₂As₂, CaAl₂Si₂, CaAs₂Bi₂, CaAs₂Mn₂, CaAs₂P₂, CaAs₂Sb₂, CaBi₂Mg₂, CaBi₂Mn₂, CaCd₂As₂, CaCd₂P₂, CaMg₂Bi₂, CaMg₂Sb₂, CaMn₂P₂, CaZn₂As₂, CaZn₂P₂, CaZn₂Sb₂, CeCuZnP₂, DyCuZnP₂, ErCuZnP₂, EuAs₂Cd₂, EuBi₂Mg₂, EuCd₂P₂, EuCd₂Sb₂, EuP₂iZn₂, GdCuZnP₂, HoCuZnP₂, LaCuZnP₂, LuCuZnP₂, NdCuZnP₂, PrCuZnP₂, SCe₂O₂, SCe₂Se₂, SLa₂O₂, SO₂Pu₂, ScCuZnP₂, SmCuZnP₂, SrAs₂Mn₂, SrAs₂P₂, SrAs₂Sb₂, SrCd₂As₂, SrCd₂P₂, SrMn₂P₂, TbCuZnP₂, TmCuZnP₂, YCuZnP₂, YbCuZnP₂, YbMg₂Bi₂, YbMnCuP₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B2C_hP5_164_d_d_a-002 (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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