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δ-Cu₄₁Sn₁₁
Cubic · space group F-43m (No. 216) · Pearson cF416
Symmetry elements and Wyckoff positions (interactive)
δ-Cu₄₁Sn₁₁ in F-43m
SettingUnit cell
- Lattice constants
- a = 17.931 Å, b = 17.931 Å, c = 17.931 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 5765.2 ų
- Atoms in the conventional cell
- 416 (Cu 328, Sn 88)
- Formula units Z
- 8
- Pearson symbol
- cF416 — cubic, face-centred lattice, 416 atoms per conventional cell
- Symmetry operations
- 96 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu1 | Cu | 16e | 16 | 0.6950 | 0.6950 | 0.6950 |
| Cu2 | Cu | 16e | 16 | 0.8344 | 0.8344 | 0.8344 |
| Cu3 | Cu | 16e | 16 | 0.9491 | 0.9491 | 0.9491 |
| Cu4 | Cu | 16e | 16 | 0.0838 | 0.0838 | 0.0838 |
| Cu5 | Cu | 16e | 16 | 0.1979 | 0.1979 | 0.1979 |
| Cu6 | Cu | 16e | 16 | 0.3356 | 0.3356 | 0.3356 |
| Cu7 | Cu | 16e | 16 | 0.4440 | 0.4440 | 0.4440 |
| Sn14 | Sn | 16e | 16 | 0.5880 | 0.5880 | 0.5880 |
| Cu8 | Cu | 24f | 24 | 0.1752 | 0.0000 | 0.0000 |
| Cu9 | Cu | 24f | 24 | 0.3216 | 0.0000 | 0.0000 |
| Cu10 | Cu | 24g | 24 | 0.0758 | 0.2500 | 0.2500 |
| Sn15 | Sn | 24g | 24 | 0.9313 | 0.2500 | 0.2500 |
| Cu11 | Cu | 48h | 48 | 0.4077 | 0.4077 | 0.7363 |
| Cu12 | Cu | 48h | 48 | 0.8511 | 0.8511 | 0.9743 |
| Cu13 | Cu | 48h | 48 | 0.6565 | 0.6565 | 0.4802 |
| Sn16 | Sn | 48h | 48 | 0.5925 | 0.5925 | 0.2315 |
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 416 atoms drawn above are these sites multiplied by all 96 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
A41B11_cF416_216_7e2fg3h_egh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF416, then the space-group number 216, then the Wyckoff letters occupied by each element in turn (Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Sn: 16e; Cu: 24f; Cu: 24f; Cu: 24g; Sn: 24g; Cu: 48h; Cu: 48h; Cu: 48h; Sn: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: \delta-Cu₄₁Sn₁₁.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A41B11_cF416_216_7e2fg3h_egh-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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