Crystal Lab › Prototype structures › Tetragonal
β-V₃S SV₃
Tetragonal · space group P42/nbc (No. 133) · Pearson tP32
Symmetry elements and Wyckoff positions (interactive)
β-V₃S in P42/nbc
SettingUnit cell
- Lattice constants
- a = 9.381 Å, b = 9.381 Å, c = 4.663 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 410.4 ų
- Atoms in the conventional cell
- 32 (S 8, V 24)
- Formula units Z
- 8
- Pearson symbol
- tP32 — tetragonal, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S1 | S | 8h | 8 | 0.9671 | 0.2500 | 0.0000 |
| V2 | V | 8i | 8 | 0.8986 | 0.2500 | 0.5000 |
| V3 | V | 8j | 8 | 0.6580 | 0.6580 | 0.2500 |
| V4 | V | 8j | 8 | 0.0472 | 0.0472 | 0.2500 |
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 32 atoms drawn above are these sites multiplied by all 16 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
AB3_tP32_133_h_i2j-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP32, then the space-group number 133, then the Wyckoff letters occupied by each element in turn (S: 8h; V: 8i; V: 8j; V: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
β-Ta₃P <!--beginning with an
Note: \beta-V₃S (LT).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3_tP32_133_h_i2j-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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