Crystal Lab › Prototype structures › Tetragonal
Pu₃₁Rh₂₀
Tetragonal · space group I4/mcm (No. 140) · Pearson tI204
Symmetry elements and Wyckoff positions (interactive)
Pu₃₁Rh₂₀ in I4/mcm
SettingUnit cell
- Lattice constants
- a = 11.076 Å, b = 11.076 Å, c = 36.933 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 4530.9 ų
- Atoms in the conventional cell
- 204 (Rh 80, Pu 124)
- Formula units Z
- 4
- Pearson symbol
- tI204 — tetragonal, body-centred lattice, 204 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Rh8 | Rh | 4a | 4 | 0.0000 | 0.0000 | 0.2500 |
| Pu1 | Pu | 4b | 4 | 0.0000 | 0.5000 | 0.2500 |
| Rh9 | Rh | 4c | 4 | 0.0000 | 0.0000 | 0.0000 |
| Rh10 | Rh | 8f | 8 | 0.0000 | 0.0000 | 0.0940 |
| Rh11 | Rh | 8f | 8 | 0.0000 | 0.0000 | 0.1734 |
| Pu2 | Pu | 8g | 8 | 0.0000 | 0.5000 | 0.0756 |
| Pu3 | Pu | 8g | 8 | 0.0000 | 0.5000 | 0.1656 |
| Pu4 | Pu | 8h | 8 | 0.1586 | 0.6586 | 0.0000 |
| Rh12 | Rh | 8h | 8 | 0.4035 | 0.9035 | 0.0000 |
| Rh13 | Rh | 16l | 16 | 0.1812 | 0.6812 | 0.0726 |
| Rh14 | Rh | 16l | 16 | 0.3417 | 0.8417 | 0.1269 |
| Rh15 | Rh | 16l | 16 | 0.1536 | 0.6536 | 0.2109 |
| Pu5 | Pu | 32m | 32 | 0.2947 | 0.4299 | 0.0500 |
| Pu6 | Pu | 32m | 32 | 0.2855 | 0.5774 | 0.1346 |
| Pu7 | Pu | 32m | 32 | 0.2819 | 0.4125 | 0.2114 |
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 204 atoms drawn above are these sites multiplied by all 32 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
A31B20_tI204_140_b2gh3m_ac2fh3l-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI204, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Rh: 4a; Pu: 4b; Rh: 4c; Rh: 8f; Rh: 8f; Pu: 8g; Pu: 8g; Pu: 8h; Rh: 8h; Rh: 16l; Rh: 16l; Rh: 16l; Pu: 32m; Pu: 32m; Pu: 32m). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Pu₃₁Pt₂₀, Ca₃₁Sn₂₀ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A31B20_tI204_140_b2gh3m_ac2fh3l-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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