Crystal Lab › Prototype structures › Tetragonal
Rh₆Mn₅Bi₁₈
Tetragonal · space group P42/mnm (No. 136) · Pearson tP58
Symmetry elements and Wyckoff positions (interactive)
Rh₆Mn₅Bi₁₈ in P42/mnm
SettingUnit cell
- Lattice constants
- a = 18.526 Å, b = 18.526 Å, c = 4.172 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1432.0 ų
- Atoms in the conventional cell
- 58 (Mn 10, Bi 36, Rh 12)
- Formula units Z
- 2
- Pearson symbol
- tP58 — tetragonal, primitive lattice, 58 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Bi2 | Bi | 4f | 4 | 0.1711 | 0.1711 | 0.0000 |
| Mn3 | Mn | 4f | 4 | 0.3319 | 0.3319 | 0.0000 |
| Mn4 | Mn | 4g | 4 | 0.2441 | 0.7559 | 0.0000 |
| Rh5 | Rh | 4g | 4 | 0.1009 | 0.8991 | 0.0000 |
| Bi6 | Bi | 8i | 8 | 0.0834 | 0.7408 | 0.0000 |
| Bi7 | Bi | 8i | 8 | 0.3721 | 0.4989 | 0.0000 |
| Bi8 | Bi | 8i | 8 | 0.0856 | 0.4378 | 0.0000 |
| Bi9 | Bi | 8i | 8 | 0.2074 | 0.5879 | 0.0000 |
| Rh10 | Rh | 8i | 8 | 0.1858 | 0.3233 | 0.0000 |
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 58 atoms drawn above are these sites multiplied by all 16 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
A18B5C6_tP58_136_f4i_afg_gi-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP58, then the space-group number 136, then the Wyckoff letters occupied by each element in turn (Mn: 2a; Bi: 4f; Mn: 4f; Mn: 4g; Rh: 4g; Bi: 8i; Bi: 8i; Bi: 8i; Bi: 8i; Rh: 8i). 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 A18B5C6_tP58_136_f4i_afg_gi-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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