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Bergman [Mg₃₂(Al,Zn)₄₉]

Cubic · space group Im-3 (No. 204) · Pearson cI162 · Strukturbericht D8e · mineral: bergman structure

Symmetry elements and Wyckoff positions (interactive)

Bergman [Mg₃₂(Al,Zn)₄₉] in Im-3

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

Unit cell

Lattice constants
a = 14.160 Å, b = 14.160 Å, c = 14.160 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
2839.2 ų
Atoms in the conventional cell
162 (Al 2, Mg 64, Zn 96)
Formula units Z
2
Pearson symbol
cI162 — cubic, body-centred lattice, 162 atoms per conventional cell
Symmetry operations
48 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al2a20.00000.00000.0000
Mg2Mg12e120.17970.00000.5000
Mg3Mg12e120.40020.00000.5000
Mg4Mg16f160.18360.18360.1836
Mg5Mg24g240.00000.29420.1194
Zn6Zn24g240.00000.09080.1501
Zn7Zn24g240.00000.17480.3007
Zn8Zn48h480.16800.16800.4031

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 162 atoms drawn above are these sites multiplied by all 48 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

AB32C48_cI162_204_a_2efg_2gh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI162, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (Al: 2a; Mg: 12e; Mg: 12e; Mg: 16f; Mg: 24g; Zn: 24g; Zn: 24g; Zn: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Li₂₀Mg₆Cu₁₃Al₄₂, Al₅CuLi₃ <!--beginning with an

Note: D8_{e}, Bergman.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB32C48_cI162_204_a_2efg_2gh-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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