Crystal Lab › Prototype structures › Cubic
Cr₂₃C₆ (D8₄)
Cubic · space group Fm-3m (No. 225) · Pearson cF116 · Strukturbericht D84
Symmetry elements and Wyckoff positions (interactive)
Cr₂₃C₆ (D8₄) in Fm-3m
SettingUnit cell
- Lattice constants
- a = 10.650 Å, b = 10.650 Å, c = 10.650 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1207.9 ų
- Atoms in the conventional cell
- 116 (Cr 92, C 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 |
|---|---|---|---|---|---|---|
| Cr2 | Cr | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Cr3 | Cr | 8c | 8 | 0.2500 | 0.2500 | 0.2500 |
| C1 | C | 24e | 24 | 0.2765 | 0.0000 | 0.0000 |
| Cr4 | Cr | 32f | 32 | 0.6191 | 0.6191 | 0.6191 |
| Cr5 | Cr | 48h | 48 | 0.0000 | 0.1699 | 0.1699 |
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
A6B23_cF116_225_e_acfh-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 (Cr: 4a; Cr: 8c; C: 24e; Cr: 32f; Cr: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Mn₂₃C₆, Co₂₁Sn₂B₆, Fe₂₁Mo₂C₆, Fe₂₁W₂C₆, Ni₂₀Mg₃B₆, Ni₂₁In₂B₆, Ni₂₁Sn₂B₆ <!--beginning with an
Note: D8₄.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B23_cF116_225_e_acfh-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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