Crystal Lab › Prototype structures › Hexagonal
AuF₃
Hexagonal · space group P6522 (No. 179) · Pearson hP24
Symmetry elements and Wyckoff positions (interactive)
AuF₃ in P6522
SettingUnit cell
- Lattice constants
- a = 5.149 Å, b = 5.149 Å, c = 16.260 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 373.3 ų
- Atoms in the conventional cell
- 24 (F 18, Au 6)
- Formula units Z
- 6
- Pearson symbol
- hP24 — hexagonal / trigonal, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| F2 | F | 6a | 6 | 0.8361 | 0.0000 | 0.0000 |
| Au1 | Au | 6b | 6 | 0.7601 | 0.5202 | 0.7500 |
| F3 | F | 12c | 12 | 0.5338 | 0.3099 | 0.0053 |
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 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
AB3_hP24_179_b_ac-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP24, then the space-group number 179, then the Wyckoff letters occupied by each element in turn (F: 6a; Au: 6b; F: 12c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
AgF₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3_hP24_179_b_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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