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Low Temperature UP₂ P₂U

Tetragonal · space group I4mm (No. 107) · Pearson tI24

Symmetry elements and Wyckoff positions (interactive)

Low Temperature UP₂ in I4mm

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
P1P2a20.00000.00000.1880
P2P2a20.00000.00000.6960
U5U2a20.00000.00000.0000
U6U2a20.00000.00000.5096
P3P4b40.00000.50000.0500
U7U4b40.00000.50000.2232
P4P8c80.22800.22800.3690

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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