Crystal Lab › Prototype structures › Hexagonal
Rh₂₀Si₁₃
Hexagonal · space group P63/m (No. 176) · Pearson hP34
Symmetry elements and Wyckoff positions (interactive)
Rh₂₀Si₁₃ in P63/m
SettingUnit cell
- Lattice constants
- a = 11.851 Å, b = 11.851 Å, c = 3.623 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 440.7 ų
- Atoms in the conventional cell
- 34 (Si 14, Rh 20)
- Formula units Z
- 2
- Pearson symbol
- hP34 — hexagonal / trigonal, primitive lattice, 34 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Si1 | Si | 2b | 2 | 0.0000 | 0.0000 | 0.0000 |
| Rh2 | Rh | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Rh3 | Rh | 6h | 6 | 0.1843 | 0.9967 | 0.2500 |
| Rh4 | Rh | 6h | 6 | 0.1283 | 0.7275 | 0.2500 |
| Rh5 | Rh | 6h | 6 | 0.0713 | 0.4613 | 0.2500 |
| Si6 | Si | 6h | 6 | 0.8942 | 0.6609 | 0.2500 |
| Si7 | Si | 6h | 6 | 0.8322 | 0.3819 | 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 34 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
A10B7_hP34_176_c3h_b2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP34, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Si: 2b; Rh: 2c; Rh: 6h; Rh: 6h; Rh: 6h; Si: 6h; Si: 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 A10B7_hP34_176_c3h_b2h-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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