Crystal Lab › Prototype structures › Orthorhombic
Metastable Au₅Zn₃
Orthorhombic · space group Pmc21 (No. 26) · Pearson oP16
Symmetry elements and Wyckoff positions (interactive)
Metastable Au₅Zn₃ in Pmc21
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Au1 | Au | 2a | 2 | 0.0000 | 0.3760 | 0.7160 |
| Zn4 | Zn | 2a | 2 | 0.0000 | 0.1420 | 0.2890 |
| Zn5 | Zn | 2b | 2 | 0.5000 | 0.3580 | 0.7290 |
| Zn6 | Zn | 2b | 2 | 0.5000 | 0.1220 | 0.2840 |
| Au2 | Au | 4c | 4 | 0.7270 | 0.3760 | 0.2020 |
| Au3 | Au | 4c | 4 | 0.7540 | 0.1160 | 0.8020 |
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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