Crystal Lab › Prototype structures › Tetragonal
Rh₁₀Ga₁₇
Tetragonal · space group P-4c2 (No. 116) · Pearson tP108
Symmetry elements and Wyckoff positions (interactive)
Rh₁₀Ga₁₇ in P-4c2
SettingUnit cell
- Lattice constants
- a = 5.813 Å, b = 5.813 Å, c = 47.460 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1603.7 ų
- Atoms in the conventional cell
- 108 (Rh 40, Ga 68)
- Formula units Z
- 4
- Pearson symbol
- tP108 — tetragonal, primitive lattice, 108 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Rh10 | Rh | 2a | 2 | 0.0000 | 0.0000 | 0.2500 |
| Rh11 | Rh | 2d | 2 | 0.5000 | 0.5000 | 0.0000 |
| Ga1 | Ga | 4e | 4 | 0.6820 | 0.6820 | 0.2500 |
| Rh12 | Rh | 4g | 4 | 0.0000 | 0.0000 | 0.0510 |
| Rh13 | Rh | 4g | 4 | 0.0000 | 0.0000 | 0.1497 |
| Rh14 | Rh | 4h | 4 | 0.5000 | 0.5000 | 0.0996 |
| Rh15 | Rh | 4h | 4 | 0.5000 | 0.5000 | 0.2010 |
| Rh16 | Rh | 4i | 4 | 0.0000 | 0.5000 | 0.9746 |
| Rh17 | Rh | 4i | 4 | 0.0000 | 0.5000 | 0.8760 |
| Rh18 | Rh | 4i | 4 | 0.0000 | 0.5000 | 0.7745 |
| Rh19 | Rh | 4i | 4 | 0.0000 | 0.5000 | 0.6752 |
| Rh20 | Rh | 4i | 4 | 0.0000 | 0.5000 | 0.5752 |
| Ga2 | Ga | 8j | 8 | 0.8450 | 0.7350 | 0.0147 |
| Ga3 | Ga | 8j | 8 | 0.2960 | 0.6600 | 0.0450 |
| Ga4 | Ga | 8j | 8 | 0.6780 | 0.8150 | 0.0744 |
| Ga5 | Ga | 8j | 8 | 0.1700 | 0.8100 | 0.1023 |
| Ga6 | Ga | 8j | 8 | 0.7870 | 0.6600 | 0.1314 |
| Ga7 | Ga | 8j | 8 | 0.3440 | 0.7440 | 0.1618 |
| Ga8 | Ga | 8j | 8 | 0.7840 | 0.8470 | 0.1917 |
| Ga9 | Ga | 8j | 8 | 0.1660 | 0.7000 | 0.2214 |
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 108 atoms drawn above are these sites multiplied by all 8 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
A17B10_tP108_116_e8j_ad2g2h5i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP108, then the space-group number 116, then the Wyckoff letters occupied by each element in turn (Rh: 2a; Rh: 2d; Ga: 4e; Rh: 4g; Rh: 4g; Rh: 4h; Rh: 4h; Rh: 4i; Rh: 4i; Rh: 4i; Rh: 4i; Rh: 4i; Ga: 8j; Ga: 8j; Ga: 8j; Ga: 8j; Ga: 8j; Ga: 8j; Ga: 8j; Ga: 8j). 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 A17B10_tP108_116_e8j_ad2g2h5i-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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