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Bergman [Mg₃₂(Al,Zn)₄₉]
Cubic · space group Im-3 (No. 204) · Pearson cI162 · Strukturbericht D8e · mineral: bergman structure
Symmetry elements and Wyckoff positions (interactive)
Bergman [Mg₃₂(Al,Zn)₄₉] in Im-3
SettingUnit cell
- Lattice constants
- a = 14.160 Å, b = 14.160 Å, c = 14.160 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 2839.2 ų
- Atoms in the conventional cell
- 162 (Al 2, Mg 64, Zn 96)
- Formula units Z
- 2
- Pearson symbol
- cI162 — cubic, body-centred lattice, 162 atoms per conventional cell
- Symmetry operations
- 48 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Mg2 | Mg | 12e | 12 | 0.1797 | 0.0000 | 0.5000 |
| Mg3 | Mg | 12e | 12 | 0.4002 | 0.0000 | 0.5000 |
| Mg4 | Mg | 16f | 16 | 0.1836 | 0.1836 | 0.1836 |
| Mg5 | Mg | 24g | 24 | 0.0000 | 0.2942 | 0.1194 |
| Zn6 | Zn | 24g | 24 | 0.0000 | 0.0908 | 0.1501 |
| Zn7 | Zn | 24g | 24 | 0.0000 | 0.1748 | 0.3007 |
| Zn8 | Zn | 48h | 48 | 0.1680 | 0.1680 | 0.4031 |
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 162 atoms drawn above are these sites multiplied by all 48 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
AB32C48_cI162_204_a_2efg_2gh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI162, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (Al: 2a; Mg: 12e; Mg: 12e; Mg: 16f; Mg: 24g; Zn: 24g; Zn: 24g; Zn: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Li₂₀Mg₆Cu₁₃Al₄₂, Al₅CuLi₃ <!--beginning with an
Note: D8_{e}, Bergman.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB32C48_cI162_204_a_2efg_2gh-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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