Crystal Lab › Prototype structures › Monoclinic
V₅S₈
Monoclinic · space group C12/m1 (No. 12) · Pearson mC26
Symmetry elements and Wyckoff positions (interactive)
V₅S₈ in C12/m1
SettingUnit cell
- Lattice constants
- a = 11.396 Å, b = 6.645 Å, c = 8.088 Å; α = 90.00°, β = 135.73°, γ = 90.00°
- Cell volume
- 427.5 ų
- Atoms in the conventional cell
- 26 (V 10, S 16)
- Formula units Z
- 2
- Pearson symbol
- mC26 — monoclinic, base-centred lattice, 26 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| V4 | V | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| V5 | V | 4h | 4 | 0.0000 | 0.7844 | 0.5000 |
| S1 | S | 4i | 4 | 0.6967 | 0.0000 | 0.7186 |
| S2 | S | 4i | 4 | 0.2223 | 0.0000 | 0.7780 |
| V6 | V | 4i | 4 | 0.2422 | 0.0000 | 0.5143 |
| S3 | S | 8j | 8 | 0.9632 | 0.7510 | 0.7531 |
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 26 atoms drawn above are these sites multiplied by all 8 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
A8B5_mC26_12_2ij_ahi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC26, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (V: 2a; V: 4h; S: 4i; S: 4i; V: 4i; S: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cr₅Se₈, Ti₅Se₈, V₅Se₈, V₅Te₈ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B5_mC26_12_2ij_ahi-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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