Crystal Lab › Prototype structures › Hexagonal
Cu₁₀Sb₃
Hexagonal · space group P63/m (No. 176) · Pearson hP26
Symmetry elements and Wyckoff positions (interactive)
Cu₁₀Sb₃ in P63/m
SettingUnit cell
- Lattice constants
- a = 9.900 Å, b = 9.900 Å, c = 4.310 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 365.8 ų
- Atoms in the conventional cell
- 26 (Cu 20, Sb 6)
- Formula units Z
- 2
- Pearson symbol
- hP26 — hexagonal / trigonal, primitive lattice, 26 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu1 | Cu | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Cu2 | Cu | 6h | 6 | 0.1690 | 0.0560 | 0.2500 |
| Cu3 | Cu | 6h | 6 | 0.4150 | 0.9710 | 0.2500 |
| Cu4 | Cu | 6h | 6 | 0.5050 | 0.2940 | 0.2500 |
| Sb5 | Sb | 6h | 6 | 0.1040 | 0.7410 | 0.2500 |
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 26 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
A10B3_hP26_176_c3h_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP26, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Cu: 2c; Cu: 6h; Cu: 6h; Cu: 6h; Sb: 6h). 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 A10B3_hP26_176_c3h_h-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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