Crystal Lab › Prototype structures › Hexagonal
Cs₇O
Hexagonal · space group P-6m2 (No. 187) · Pearson hP24
Symmetry elements and Wyckoff positions (interactive)
Cs₇O in P-6m2
SettingUnit cell
- Lattice constants
- a = 16.244 Å, b = 16.244 Å, c = 9.145 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 2089.8 ų
- Atoms in the conventional cell
- 24 (Cs 21, O 3)
- Formula units Z
- 3
- Pearson symbol
- hP24 — hexagonal / trigonal, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs1 | Cs | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Cs2 | Cs | 2h | 2 | 0.3333 | 0.6667 | 0.2032 |
| Cs3 | Cs | 3j | 3 | 0.4491 | 0.5508 | 0.0000 |
| Cs4 | Cs | 3j | 3 | 0.7842 | 0.2158 | 0.0000 |
| O8 | O | 3j | 3 | 0.2520 | 0.7480 | 0.0000 |
| Cs5 | Cs | 3k | 3 | 0.5507 | 0.4493 | 0.5000 |
| Cs6 | Cs | 3k | 3 | 0.8877 | 0.1123 | 0.5000 |
| Cs7 | Cs | 6n | 6 | 0.1864 | 0.8136 | 0.2199 |
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 24 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
A7B_hP24_187_ah2j2kn_j-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP24, then the space-group number 187, then the Wyckoff letters occupied by each element in turn (Cs: 1a; Cs: 2h; Cs: 3j; Cs: 3j; O: 3j; Cs: 3k; Cs: 3k; Cs: 6n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B_hP24_187_ah2j2kn_j-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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