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Metastable Au₅Zn₃

Orthorhombic · space group Pmc21 (No. 26) · Pearson oP16

Symmetry elements and Wyckoff positions (interactive)

Metastable Au₅Zn₃ in Pmc21

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

Unit cell

Lattice constants
a = 6.345 Å, b = 8.971 Å, c = 4.486 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
255.3 ų
Atoms in the conventional cell
16 (Au 10, Zn 6)
Formula units Z
2
Pearson symbol
oP16 — orthorhombic, primitive lattice, 16 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Au1Au2a20.00000.37600.7160
Zn4Zn2a20.00000.14200.2890
Zn5Zn2b20.50000.35800.7290
Zn6Zn2b20.50000.12200.2840
Au2Au4c40.72700.37600.2020
Au3Au4c40.75400.11600.8020

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 16 atoms drawn above are these sites multiplied by all 4 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

A5B3_oP16_26_a2c_a2b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP16, then the space-group number 26, then the Wyckoff letters occupied by each element in turn (Au: 2a; Zn: 2a; Zn: 2b; Zn: 2b; Au: 4c; Au: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Metastable.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B3_oP16_26_a2c_a2b-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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