Symmetry elements and Wyckoff positions (interactive)
V₈C₇ in P4332
SettingUnit cell
- Lattice constants
- a = 8.340 Å, b = 8.340 Å, c = 8.340 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 580.2 ų
- Atoms in the conventional cell
- 60 (C 28, V 32)
- Formula units Z
- 4
- Pearson symbol
- cP60 — cubic, primitive lattice, 60 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| C1 | C | 4a | 4 | 0.1250 | 0.1250 | 0.1250 |
| V2 | V | 8c | 8 | 0.3705 | 0.3705 | 0.3705 |
| C3 | C | 12d | 12 | 0.1250 | 0.6296 | 0.6204 |
| C4 | C | 12d | 12 | 0.1250 | 0.3254 | 0.9246 |
| V5 | V | 24e | 24 | 0.1216 | 0.3811 | 0.1326 |
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 60 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
A7B8_cP60_212_a2d_ce-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP60, then the space-group number 212, then the Wyckoff letters occupied by each element in turn (C: 4a; V: 8c; C: 12d; C: 12d; V: 24e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B8_cP60_212_a2d_ce-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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