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Al₁₂W

Cubic · space group Im-3 (No. 204) · Pearson cI26

Symmetry elements and Wyckoff positions (interactive)

Al₁₂W in Im-3

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

Unit cell

Lattice constants
a = 7.580 Å, b = 7.580 Å, c = 7.580 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
435.5 ų
Atoms in the conventional cell
26 (W 2, Al 24)
Formula units Z
2
Pearson symbol
cI26 — cubic, body-centred lattice, 26 atoms per conventional cell
Symmetry operations
48 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
W2W2a20.00000.00000.0000
Al1Al24g240.00000.18400.6910

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 26 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

A12B_cI26_204_g_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI26, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (W: 2a; Al: 24g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Al₁₂Mo, Al₁₂Mn, Al₁₂Re, Al₁₂Te <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A12B_cI26_204_g_a-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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