Crystal Lab › Prototype structures › Cubic
Mg₂Zn₁₁ (D8_{c})
Cubic · space group Pm-3 (No. 200) · Pearson cP39 · Strukturbericht D8c
Symmetry elements and Wyckoff positions (interactive)
Mg₂Zn₁₁ (D8_{c}) in Pm-3
SettingUnit cell
- Lattice constants
- a = 8.552 Å, b = 8.552 Å, c = 8.552 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 625.5 ų
- Atoms in the conventional cell
- 39 (Zn 33, Mg 6)
- Formula units Z
- 3
- Pearson symbol
- cP39 — cubic, primitive lattice, 39 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Zn2 | Zn | 1b | 1 | 0.5000 | 0.5000 | 0.5000 |
| Zn4 | Zn | 6e | 6 | 0.7650 | 0.0000 | 0.0000 |
| Mg1 | Mg | 6f | 6 | 0.6800 | 0.0000 | 0.5000 |
| Zn3 | Zn | 6g | 6 | 0.8400 | 0.5000 | 0.0000 |
| Zn5 | Zn | 8i | 8 | 0.7780 | 0.7780 | 0.7780 |
| Zn6 | Zn | 12k | 12 | 0.5000 | 0.7570 | 0.6570 |
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 39 atoms drawn above are these sites multiplied by all 24 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
A2B11_cP39_200_f_begik-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP39, then the space-group number 200, then the Wyckoff letters occupied by each element in turn (Zn: 1b; Zn: 6e; Mg: 6f; Zn: 6g; Zn: 8i; Zn: 12k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Na₂Cd₁₁, Mg₂Cu₆Al₅, Mg₂Cu₆Ga₅, Na₂Au₆In₅, Sc₂Co₇Ga₄, K₆Na₁₄CdTl₁₈, K₆Na₁₄HgTl₁₈, K₆Na₁₄MgTl₁₈, K₆Na₁₄ZnTl₁₈ <!--beginning with an
Note: D8_{c}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B11_cP39_200_f_begik-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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