Crystal Lab › Prototype structures › Monoclinic
Wodginite (LiFe(WO₄)₂)
Monoclinic · space group C12/c1 (No. 15) · Pearson mC48 · mineral: wodginite
Symmetry elements and Wyckoff positions (interactive)
Wodginite (LiFe(WO₄)₂) in C12/c1
SettingUnit cell
- Lattice constants
- a = 9.265 Å, b = 11.386 Å, c = 4.892 Å; α = 90.00°, β = 90.40°, γ = 90.00°
- Cell volume
- 516.0 ų
- Atoms in the conventional cell
- 48 (Fe 4, Li 4, O 32, W 8)
- Formula units Z
- 4
- Pearson symbol
- mC48 — monoclinic, base-centred lattice, 48 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Fe1 | Fe | 4e | 4 | 0.0000 | 0.6653 | 0.2500 |
| Li2 | Li | 4e | 4 | 0.0000 | 0.1540 | 0.2500 |
| O3 | O | 8f | 8 | 0.6362 | 0.0598 | 0.0755 |
| O4 | O | 8f | 8 | 0.6199 | 0.1822 | 0.5885 |
| O5 | O | 8f | 8 | 0.1438 | 0.0497 | 0.0563 |
| O6 | O | 8f | 8 | 0.6225 | 0.6951 | 0.6067 |
| W7 | W | 8f | 8 | 0.7530 | 0.0914 | 0.7532 |
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 48 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
ABC8D2_mC48_15_e_e_4f_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC48, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Fe: 4e; Li: 4e; O: 8f; O: 8f; O: 8f; O: 8f; W: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
MnSn(TaO₄)₂ (wodginite) <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC8D2_mC48_15_e_e_4f_f-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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