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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O1 | O | 4e | 4 | 0.7820 | 0.4700 | 0.7820 |
| O2 | O | 4e | 4 | 0.7810 | 0.0360 | 0.7790 |
| O3 | O | 4e | 4 | 0.0050 | 0.2360 | 0.7230 |
| O4 | O | 4e | 4 | 0.4720 | 0.2430 | 0.2580 |
| O5 | O | 4e | 4 | 0.2768 | 0.4720 | 0.9998 |
| O6 | O | 4e | 4 | 0.2880 | 0.0020 | 0.0000 |
| W7 | W | 4e | 4 | 0.9700 | 0.4740 | 0.7170 |
| W8 | W | 4e | 4 | 0.4649 | 0.4670 | 0.2189 |
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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