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Th₆Mn₂₃ (D8_{a})
Cubic · space group Fm-3m (No. 225) · Pearson cF116 · Strukturbericht D8a
Symmetry elements and Wyckoff positions (interactive)
Th₆Mn₂₃ (D8_{a}) in Fm-3m
SettingUnit cell
- Lattice constants
- a = 12.523 Å, b = 12.523 Å, c = 12.523 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1963.9 ų
- Atoms in the conventional cell
- 116 (Mn 92, Th 24)
- 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 |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Mn2 | Mn | 24d | 24 | 0.0000 | 0.2500 | 0.2500 |
| Th5 | Th | 24e | 24 | 0.7030 | 0.0000 | 0.0000 |
| Mn3 | Mn | 32f | 32 | 0.6780 | 0.6780 | 0.6780 |
| Mn4 | Mn | 32f | 32 | 0.8780 | 0.8780 | 0.8780 |
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
A23B6_cF116_225_ad2f_e-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 (Mn: 4a; Mn: 24d; Th: 24e; Mn: 32f; Mn: 32f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Co₂₃Zr₆, Fe₂₃Er₆, Fe₂₃Ho₆, Fe₂₃Sm₆, Fe₂₃Tb₆, Li₂₃Sr₆, Mg₂₃Ba₆, Mg₂₃Dy₆, Mg₂₃Er₆, Mg₂₃Gd₆, Mg₂₃Ho₆, Mg₂₃Lu₆, Mg₂₃Nd₆, Mg₂₃Sr₆, Mg₂₃Tb₆, Mg₂₃Th₆, Mg₂₃Tm₆, Mg₂₃Y₆, Mn₂₃Th_{6-x}Y_{x}, Mn₂₃Th₆, Mn₂₃Y₆, Fe₃Zn, Ge₁₃Fe₁₀Ti₆ <!--beginning with an
Note: D8_{a}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A23B6_cF116_225_ad2f_e-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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