Crystal Lab › Prototype structures › Monoclinic
Li₇Sn₃
Monoclinic · space group P121/m1 (No. 11) · Pearson mP20
Symmetry elements and Wyckoff positions (interactive)
Li₇Sn₃ in P121/m1
SettingUnit cell
- Lattice constants
- a = 8.560 Å, b = 4.720 Å, c = 9.450 Å; α = 90.00°, β = 105.95°, γ = 90.00°
- Cell volume
- 367.1 ų
- Atoms in the conventional cell
- 20 (Li 14, Sn 6)
- Formula units Z
- 2
- Pearson symbol
- mP20 — monoclinic, primitive lattice, 20 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li1 | Li | 2e | 2 | 0.6080 | 0.2500 | 0.2680 |
| Li2 | Li | 2e | 2 | 0.9930 | 0.2500 | 0.8660 |
| Li3 | Li | 2e | 2 | 0.0020 | 0.2500 | 0.3780 |
| Li4 | Li | 2e | 2 | 0.1970 | 0.2500 | 0.6880 |
| Li5 | Li | 2e | 2 | 0.1900 | 0.2500 | 0.1790 |
| Li6 | Li | 2e | 2 | 0.3990 | 0.2500 | 0.4670 |
| Li7 | Li | 2e | 2 | 0.3940 | 0.2500 | 0.9790 |
| Sn10 | Sn | 2e | 2 | 0.8021 | 0.2500 | 0.5682 |
| Sn8 | Sn | 2e | 2 | 0.6005 | 0.2500 | 0.7749 |
| Sn9 | Sn | 2e | 2 | 0.8026 | 0.2500 | 0.0821 |
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 20 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
A7B3_mP20_11_7e_3e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP20, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (Li: 2e; Li: 2e; Li: 2e; Li: 2e; Li: 2e; Li: 2e; Li: 2e; Sn: 2e; Sn: 2e; Sn: 2e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B3_mP20_11_7e_3e-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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