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Crystal Lab › Prototype structures › Cubic

β-UH₃ H₃U

Cubic · space group Pm-3n (No. 223) · Pearson cP32

Symmetry elements and Wyckoff positions (interactive)

β-UH₃ in Pm-3n

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

Unit cell

Lattice constants
a = 6.639 Å, b = 6.639 Å, c = 6.639 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
292.6 ų
Atoms in the conventional cell
32 (U 8, H 24)
Formula units Z
8
Pearson symbol
cP32 — cubic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
48 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
U2U2a20.00000.00000.0000
U3U6c60.25000.00000.5000
H1H24k240.00000.15600.3130

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 32 atoms drawn above are these sites multiplied by all 48 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

A3B_cP32_223_k_ac-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP32, then the space-group number 223, then the Wyckoff letters occupied by each element in turn (U: 2a; U: 6c; H: 24k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Zn₃Au <!--beginning with an

Note: \beta-UH₃.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_cP32_223_k_ac-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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