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Crystal Lab › Prototype structures › Hexagonal

AuF₃

Hexagonal · space group P6522 (No. 179) · Pearson hP24

Symmetry elements and Wyckoff positions (interactive)

AuF₃ in P6522

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

Unit 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

SiteElementWyckoffMultiplicityxyz
F2F6a60.83610.00000.0000
Au1Au6b60.76010.52020.7500
F3F12c120.53380.30990.0053

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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