Crystal Lab › Prototype structures › Triclinic
Li₂WO₄ (V)
Triclinic · space group P-1 (No. 2) · Pearson aP28
Symmetry elements and Wyckoff positions (interactive)
Li₂WO₄ (V) in P-1
SettingUnit cell
- Lattice constants
- a = 5.274 Å, b = 7.777 Å, c = 7.973 Å; α = 105.83°, β = 103.39°, γ = 90.58°
- Cell volume
- 305.1 ų
- Atoms in the conventional cell
- 28 (Li 8, O 16, W 4)
- Formula units Z
- 4
- Pearson symbol
- aP28 — triclinic, primitive lattice, 28 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li1 | Li | 2i | 2 | 0.8990 | 0.6450 | 0.0730 |
| Li2 | Li | 2i | 2 | 0.2960 | 0.7870 | 0.9760 |
| Li3 | Li | 2i | 2 | 0.7580 | 0.9530 | 0.4030 |
| Li4 | Li | 2i | 2 | 0.9000 | 0.3270 | 0.4700 |
| O10 | O | 2i | 2 | 0.5790 | 0.2178 | 0.5197 |
| O11 | O | 2i | 2 | 0.4086 | 0.6644 | 0.7613 |
| O12 | O | 2i | 2 | 0.7432 | 0.5656 | 0.5831 |
| O5 | O | 2i | 2 | 0.9190 | 0.8013 | 0.9313 |
| O6 | O | 2i | 2 | 0.7370 | 0.4184 | 0.8803 |
| O7 | O | 2i | 2 | 0.2110 | 0.3232 | 0.7123 |
| O8 | O | 2i | 2 | 0.9370 | 0.9103 | 0.6318 |
| O9 | O | 2i | 2 | 0.5360 | 0.0192 | 0.8150 |
| W13 | W | 2i | 2 | 0.4987 | 0.4209 | 0.6849 |
| W14 | W | 2i | 2 | 0.7086 | 0.8294 | 0.7349 |
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 2 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
A2B4C_aP28_2_4i_8i_2i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP28, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Li: 2i; Li: 2i; Li: 2i; Li: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; W: 2i; W: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: V.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B4C_aP28_2_4i_8i_2i-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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