Crystal Lab › Prototype structures › Cubic
Li₁₇Pb₄
Cubic · space group F-43m (No. 216) · Pearson cF420
Symmetry elements and Wyckoff positions (interactive)
Li₁₇Pb₄ in F-43m
SettingUnit cell
- Lattice constants
- a = 19.842 Å, b = 19.842 Å, c = 19.842 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 7811.9 ų
- Atoms in the conventional cell
- 420 (Li 340, Pb 80)
- Formula units Z
- 20
- Pearson symbol
- cF420 — cubic, face-centred lattice, 420 atoms per conventional cell
- Symmetry operations
- 96 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li1 | Li | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Li2 | Li | 16e | 16 | 0.3034 | 0.3034 | 0.3034 |
| Li3 | Li | 16e | 16 | 0.4151 | 0.4151 | 0.4151 |
| Li4 | Li | 16e | 16 | 0.5559 | 0.5559 | 0.5559 |
| Li5 | Li | 16e | 16 | 0.6831 | 0.6831 | 0.6831 |
| Li6 | Li | 16e | 16 | 0.8305 | 0.8305 | 0.8305 |
| Li7 | Li | 16e | 16 | 0.0738 | 0.0738 | 0.0738 |
| Pb14 | Pb | 16e | 16 | 0.1590 | 0.1590 | 0.1590 |
| Pb15 | Pb | 16e | 16 | 0.9164 | 0.9164 | 0.9164 |
| Li8 | Li | 24f | 24 | 0.8268 | 0.0000 | 0.0000 |
| Pb16 | Pb | 24f | 24 | 0.6799 | 0.0000 | 0.0000 |
| Li9 | Li | 24g | 24 | 0.0747 | 0.2500 | 0.2500 |
| Pb17 | Pb | 24g | 24 | 0.9292 | 0.2500 | 0.2500 |
| Li10 | Li | 48h | 48 | 0.5943 | 0.5943 | 0.2678 |
| Li11 | Li | 48h | 48 | 0.5914 | 0.5914 | 0.7622 |
| Li12 | Li | 48h | 48 | 0.3448 | 0.3448 | 0.5204 |
| Li13 | Li | 48h | 48 | 0.3373 | 0.3373 | 0.0075 |
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 420 atoms drawn above are these sites multiplied by all 96 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
A17B4_cF420_216_a6efg4h_2efg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF420, then the space-group number 216, then the Wyckoff letters occupied by each element in turn (Li: 4a; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Pb: 16e; Pb: 16e; Li: 24f; Pb: 24f; Li: 24g; Pb: 24g; Li: 48h; Li: 48h; Li: 48h; Li: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Li₁₇Ge₄, Li₁₇Si₄, Li₁₇Sn₄ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A17B4_cF420_216_a6efg4h_2efg-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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