Crystal Lab › Prototype structures › Tetragonal
Low Temperature UP₂ P₂U
Tetragonal · space group I4mm (No. 107) · Pearson tI24
Symmetry elements and Wyckoff positions (interactive)
Low Temperature UP₂ in I4mm
SettingUnit cell
- Lattice constants
- a = 5.387 Å, b = 5.387 Å, c = 15.563 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 451.7 ų
- Atoms in the conventional cell
- 24 (P 16, U 8)
- Formula units Z
- 8
- Pearson symbol
- tI24 — tetragonal, body-centred lattice, 24 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| P1 | P | 2a | 2 | 0.0000 | 0.0000 | 0.1880 |
| P2 | P | 2a | 2 | 0.0000 | 0.0000 | 0.6960 |
| U5 | U | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| U6 | U | 2a | 2 | 0.0000 | 0.0000 | 0.5096 |
| P3 | P | 4b | 4 | 0.0000 | 0.5000 | 0.0500 |
| U7 | U | 4b | 4 | 0.0000 | 0.5000 | 0.2232 |
| P4 | P | 8c | 8 | 0.2280 | 0.2280 | 0.3690 |
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 24 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
A2B_tI24_107_2abc_2ab-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI24, then the space-group number 107, then the Wyckoff letters occupied by each element in turn (P: 2a; P: 2a; U: 2a; U: 2a; P: 4b; U: 4b; P: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: LT.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B_tI24_107_2abc_2ab-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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