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Mg₆Si₇Cu₁₆
Cubic · space group Fm-3m (No. 225) · Pearson cF116
Symmetry elements and Wyckoff positions (interactive)
Mg₆Si₇Cu₁₆ in Fm-3m
SettingUnit cell
- Lattice constants
- a = 11.670 Å, b = 11.670 Å, c = 11.670 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1589.3 ų
- Atoms in the conventional cell
- 116 (Si 28, Mg 24, Cu 64)
- Formula units Z
- 4
- Pearson symbol
- cF116 — cubic, face-centred lattice, 116 atoms per conventional cell
- Symmetry operations
- 192 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Si4 | Si | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Si5 | Si | 24d | 24 | 0.0000 | 0.2500 | 0.2500 |
| Mg3 | Mg | 24e | 24 | 0.3176 | 0.0000 | 0.0000 |
| Cu1 | Cu | 32f | 32 | 0.3316 | 0.3316 | 0.3316 |
| Cu2 | Cu | 32f | 32 | 0.1230 | 0.1230 | 0.1230 |
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 116 atoms drawn above are these sites multiplied by all 192 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
A16B6C7_cF116_225_2f_e_ad-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF116, then the space-group number 225, then the Wyckoff letters occupied by each element in turn (Si: 4a; Si: 24d; Mg: 24e; Cu: 32f; Cu: 32f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Hf₆Ge₇Co₁₆, Hf₆Ge₇Ni₁₆, Hf₆Si₇Co₁₆, Hf₆Si₇Ni₁₆, Mg₆Ge₇Ni₁₆, Mg₆Si₇Co₁₆, Mg₆Si₇Cu₁₆, Mg₆Si₇Ni₁₆, Mn₆Ge₇Ni₁₆, Mn₆Si₇Ni₁₆, Nb₆Ge₇Co₁₆, Nb₆Ge₇Ni₁₆, Nb₆Si₇Co₁₆, Nb₆Si₇Ni₁₆, Sc₆Ge₇Ni₁₆, Sc₆Si₇Co₁₆, Sc₆Si₇Ni₁₆, Ta₆Ge₇Co₁₆, Ta₆Ge₇Ni₁₆, Ta₆Si₇Co₁₆, Ta₆Si₇Ni₁₆, Ti₆Ge₇Ni₁₆, Ti₆Si₇Co₁₆, Ti₆Si₇Ni₁₆, V₆Si₇Ni₁₆, Zr₆Ge₇Co₁₆, Zr₆Ge₇Ni₁₆, Zr₆Si₇Co₁₆, Zr₆Si₇Ni₁₆ <!--beginning with an
Note: Ternary D8_{a}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A16B6C7_cF116_225_2f_e_ad-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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