Crystal Lab › Prototype structures › Hexagonal
beta₁-K₂UF₆ F₆K₂U
Hexagonal · space group P-62m (No. 189) · Pearson hP9
Symmetry elements and Wyckoff positions (interactive)
beta₁-K₂UF₆ in P-62m
SettingUnit cell
- Lattice constants
- a = 6.553 Å, b = 6.553 Å, c = 3.749 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 139.4 ų
- Atoms in the conventional cell
- 9 (U 1, K 2, F 6)
- Formula units Z
- 1
- Pearson symbol
- hP9 — hexagonal / trigonal, primitive lattice, 9 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| U4 | U | 1b | 1 | 0.0000 | 0.0000 | 0.5000 |
| K3 | K | 2c | 2 | 0.3333 | 0.6667 | 0.0000 |
| F1 | F | 3f | 3 | 0.2230 | 0.0000 | 0.0000 |
| F2 | F | 3g | 3 | 0.6620 | 0.0000 | 0.5000 |
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 9 atoms drawn above are these sites multiplied by all 12 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
A6B2C_hP9_189_fg_c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP9, then the space-group number 189, then the Wyckoff letters occupied by each element in turn (U: 1b; K: 2c; F: 3f; F: 3g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
K₂CeF₆, K₂ThF₆, δ-Na₂UF₆ <!--beginning with an
Note: \beta₁-K₂UF₆.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B2C_hP9_189_fg_c_b-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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