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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
V4V2a20.00000.00000.0000
V5V4h40.00000.78440.5000
S1S4i40.69670.00000.7186
S2S4i40.22230.00000.7780
V6V4i40.24220.00000.5143
S3S8j80.96320.75100.7531

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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