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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
S1S8h80.96710.25000.0000
V2V8i80.89860.25000.5000
V3V8j80.65800.65800.2500
V4V8j80.04720.04720.2500

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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