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Crystal Lab › Prototype structures › Orthorhombic

V₂MoO₈

Orthorhombic · space group Cmm2 (No. 35) · Pearson oC22

Symmetry elements and Wyckoff positions (interactive)

V₂MoO₈ in Cmm2

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

Unit cell

Lattice constants
a = 19.400 Å, b = 3.620 Å, c = 4.130 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
290.0 ų
Atoms in the conventional cell
22 (Mo 2, O 16, V 4)
Formula units Z
2
Pearson symbol
oC22 — orthorhombic, base-centred lattice, 22 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mo1Mo2a20.00000.00000.0000
O2O2a20.00000.00000.5838
O3O2b20.00000.50000.9580
O4O4d40.81100.00000.5461
O5O4d40.90390.00000.1220
O6O4d40.70180.00000.1399
V7V4d40.81340.00000.0038

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 22 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

AB8C2_oC22_35_a_ab3d_d-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC22, then the space-group number 35, then the Wyckoff letters occupied by each element in turn (Mo: 2a; O: 2a; O: 2b; O: 4d; O: 4d; O: 4d; V: 4d). 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 AB8C2_oC22_35_a_ab3d_d-002 (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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