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Crystal Lab › Prototype structures › Orthorhombic

VOSO₄

Orthorhombic · space group Pnma (No. 62) · Pearson oP28

Symmetry elements and Wyckoff positions (interactive)

VOSO₄ in Pnma

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

Unit cell

Lattice constants
a = 7.371 Å, b = 6.269 Å, c = 7.082 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
327.3 ų
Atoms in the conventional cell
28 (O 20, S 4, V 4)
Formula units Z
4
Pearson symbol
oP28 — orthorhombic, primitive lattice, 28 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O4c40.71870.25000.9896
O2O4c40.03990.25000.9799
O3O4c40.37190.25000.1647
S5S4c40.87610.25000.8669
V6V4c40.16580.25000.2327
O4O8d80.12510.57330.2569

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 28 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

A5BC_oP28_62_3cd_c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP28, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (O: 4c; O: 4c; O: 4c; S: 4c; V: 4c; O: 8d). 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 A5BC_oP28_62_3cd_c_c-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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