Crystal Lab › Prototype structures › Hexagonal
Li₂Sb
Hexagonal · space group P-62c (No. 190) · Pearson hP18
Symmetry elements and Wyckoff positions (interactive)
Li₂Sb in P-62c
SettingUnit cell
- Lattice constants
- a = 7.946 Å, b = 7.946 Å, c = 6.527 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 356.9 ų
- Atoms in the conventional cell
- 18 (Sb 6, Li 12)
- Formula units Z
- 6
- Pearson symbol
- hP18 — hexagonal / trigonal, primitive lattice, 18 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sb3 | Sb | 2b | 2 | 0.0000 | 0.0000 | 0.2500 |
| Sb4 | Sb | 4f | 4 | 0.3333 | 0.6667 | 0.0225 |
| Li1 | Li | 6g | 6 | 0.2940 | 0.0000 | 0.0000 |
| Li2 | Li | 6h | 6 | 0.6120 | 0.0100 | 0.2500 |
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 18 atoms drawn above are these sites multiplied by all 12 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
A2B_hP18_190_gh_bf-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP18, then the space-group number 190, then the Wyckoff letters occupied by each element in turn (Sb: 2b; Sb: 4f; Li: 6g; Li: 6h). 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 A2B_hP18_190_gh_bf-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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