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δ-Cu₄₁Sn₁₁

Cubic · space group F-43m (No. 216) · Pearson cF416

Symmetry elements and Wyckoff positions (interactive)

δ-Cu₄₁Sn₁₁ in F-43m

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

Unit cell

Lattice constants
a = 17.931 Å, b = 17.931 Å, c = 17.931 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
5765.2 ų
Atoms in the conventional cell
416 (Cu 328, Sn 88)
Formula units Z
8
Pearson symbol
cF416 — cubic, face-centred lattice, 416 atoms per conventional cell
Symmetry operations
96 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cu1Cu16e160.69500.69500.6950
Cu2Cu16e160.83440.83440.8344
Cu3Cu16e160.94910.94910.9491
Cu4Cu16e160.08380.08380.0838
Cu5Cu16e160.19790.19790.1979
Cu6Cu16e160.33560.33560.3356
Cu7Cu16e160.44400.44400.4440
Sn14Sn16e160.58800.58800.5880
Cu8Cu24f240.17520.00000.0000
Cu9Cu24f240.32160.00000.0000
Cu10Cu24g240.07580.25000.2500
Sn15Sn24g240.93130.25000.2500
Cu11Cu48h480.40770.40770.7363
Cu12Cu48h480.85110.85110.9743
Cu13Cu48h480.65650.65650.4802
Sn16Sn48h480.59250.59250.2315

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 416 atoms drawn above are these sites multiplied by all 96 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

A41B11_cF416_216_7e2fg3h_egh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF416, then the space-group number 216, then the Wyckoff letters occupied by each element in turn (Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Cu: 16e; Sn: 16e; Cu: 24f; Cu: 24f; Cu: 24g; Sn: 24g; Cu: 48h; Cu: 48h; Cu: 48h; Sn: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: \delta-Cu₄₁Sn₁₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A41B11_cF416_216_7e2fg3h_egh-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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