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Au₁₁Mn₃

Monoclinic · space group C12/m1 (No. 12) · Pearson mC28

Symmetry elements and Wyckoff positions (interactive)

Au₁₁Mn₃ in C12/m1

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Au1Au2a20.00000.00000.0000
Mn7Mn2c20.00000.00000.5000
Au2Au4i40.57140.00000.6429
Au3Au4i40.85710.00000.7143
Au4Au4i40.71430.00000.9286
Au5Au4i40.28570.00000.5714
Au6Au4i40.14290.00000.7857
Mn8Mn4i40.42860.00000.8571

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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