Crystal Lab › Prototype structures › Tetragonal
β-U (A_{b})
Tetragonal · space group P42/mnm (No. 136) · Pearson tP30 · Strukturbericht Ab
Symmetry elements and Wyckoff positions (interactive)
β-U (A_{b}) in P42/mnm
SettingUnit cell
- Lattice constants
- a = 10.590 Å, b = 10.590 Å, c = 5.634 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 631.8 ų
- Atoms in the conventional cell
- 30 (U 30)
- Formula units Z
- 30
- Pearson symbol
- tP30 — tetragonal, primitive lattice, 30 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| U1 | U | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| U2 | U | 4f | 4 | 0.6033 | 0.6033 | 0.0000 |
| U3 | U | 8i | 8 | 0.8667 | 0.5383 | 0.0000 |
| U4 | U | 8i | 8 | 0.0608 | 0.7354 | 0.0000 |
| U5 | U | 8j | 8 | 0.8183 | 0.8183 | 0.2700 |
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 30 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
A_tP30_136_af2ij-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP30, then the space-group number 136, then the Wyckoff letters occupied by each element in turn (U: 2a; U: 4f; U: 8i; U: 8i; U: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: A_{b}, \beta-U.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_tP30_136_af2ij-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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