Crystal Lab › Prototype structures › Monoclinic
Monoclinic (II) Li₂FeSiO₄
Monoclinic · space group P121/c1 (No. 14) · Pearson mP32
Symmetry elements and Wyckoff positions (interactive)
Monoclinic (II) Li₂FeSiO₄ in P121/c1
SettingUnit cell
- Lattice constants
- a = 8.237 Å, b = 5.023 Å, c = 10.694 Å; α = 90.00°, β = 130.43°, γ = 90.00°
- Cell volume
- 336.8 ų
- Atoms in the conventional cell
- 32 (Fe 4, Li 8, O 16, Si 4)
- Formula units Z
- 4
- 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 |
|---|---|---|---|---|---|---|
| Fe1 | Fe | 4e | 4 | 0.7530 | 0.2969 | 0.2930 |
| Li2 | Li | 4e | 4 | 0.9940 | 0.2850 | 0.6630 |
| Li3 | Li | 4e | 4 | 0.5010 | 0.6930 | 0.5850 |
| O4 | O | 4e | 4 | 0.0292 | 0.1905 | 0.8548 |
| O5 | O | 4e | 4 | 0.5409 | 0.7132 | 0.4261 |
| O6 | O | 4e | 4 | 0.2615 | 0.2685 | 0.6958 |
| O7 | O | 4e | 4 | 0.7412 | 0.3568 | 0.9584 |
| Si8 | Si | 4e | 4 | 0.2531 | 0.3102 | 0.0436 |
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
AB2C4D_mP32_14_e_2e_4e_e-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 (Fe: 4e; Li: 4e; Li: 4e; O: 4e; O: 4e; O: 4e; O: 4e; Si: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: Monoclinic (II).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C4D_mP32_14_e_2e_4e_e-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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