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Crystal Lab › Prototype structures › Monoclinic

γ-WO₃ O₃W

Monoclinic · space group P121/c1 (No. 14) · Pearson mP32

Symmetry elements and Wyckoff positions (interactive)

γ-WO₃ in P121/c1

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

Unit cell

Lattice constants
a = 7.327 Å, b = 7.564 Å, c = 10.604 Å; α = 90.00°, β = 133.22°, γ = 90.00°
Cell volume
428.3 ų
Atoms in the conventional cell
32 (O 24, W 8)
Formula units Z
8
Pearson symbol
mP32 — monoclinic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O4e40.78200.47000.7820
O2O4e40.78100.03600.7790
O3O4e40.00500.23600.7230
O4O4e40.47200.24300.2580
O5O4e40.27680.47200.9998
O6O4e40.28800.00200.0000
W7W4e40.97000.47400.7170
W8W4e40.46490.46700.2189

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 4 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

A3B_mP32_14_6e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP32, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; W: 4e; W: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: \gamma-WO₃.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_mP32_14_6e_2e-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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