Crystal Lab › Prototype structures › Monoclinic
Au₁₁Mn₃
Monoclinic · space group C12/m1 (No. 12) · Pearson mC28
Symmetry elements and Wyckoff positions (interactive)
Au₁₁Mn₃ in C12/m1
SettingUnit cell
- Lattice constants
- a = 8.900 Å, b = 4.000 Å, c = 12.600 Å; α = 90.00°, β = 98.20°, γ = 90.00°
- Cell volume
- 444.0 ų
- Atoms in the conventional cell
- 28 (Au 22, Mn 6)
- Formula units Z
- 2
- Pearson symbol
- mC28 — monoclinic, base-centred lattice, 28 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Au1 | Au | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Mn7 | Mn | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| Au2 | Au | 4i | 4 | 0.5714 | 0.0000 | 0.6429 |
| Au3 | Au | 4i | 4 | 0.8571 | 0.0000 | 0.7143 |
| Au4 | Au | 4i | 4 | 0.7143 | 0.0000 | 0.9286 |
| Au5 | Au | 4i | 4 | 0.2857 | 0.0000 | 0.5714 |
| Au6 | Au | 4i | 4 | 0.1429 | 0.0000 | 0.7857 |
| Mn8 | Mn | 4i | 4 | 0.4286 | 0.0000 | 0.8571 |
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 28 atoms drawn above are these sites multiplied by all 8 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
A11B3_mC28_12_a5i_ci-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC28, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Au: 2a; Mn: 2c; Au: 4i; Au: 4i; Au: 4i; Au: 4i; Au: 4i; Mn: 4i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A11B3_mC28_12_a5i_ci-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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