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Li₂₂Si₅

Cubic · space group F23 (No. 196) · Pearson cF432

Symmetry elements and Wyckoff positions (interactive)

Li₂₂Si₅ in F23

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

Unit cell

Lattice constants
a = 18.750 Å, b = 18.750 Å, c = 18.750 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
6591.8 ų
Atoms in the conventional cell
432 (Li 352, Si 80)
Formula units Z
16
Pearson symbol
cF432 — cubic, face-centred lattice, 432 atoms per conventional cell
Symmetry operations
48 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Li3Li4a40.00000.00000.0000
Li4Li4b40.50000.50000.5000
Li2Li4c40.25000.25000.2500
Li1Li4d40.75000.75000.7500
Li10Li16e160.58300.58300.5830
Li5Li16e160.83000.83000.8300
Li6Li16e160.91700.91700.9170
Li7Li16e160.08000.08000.0800
Li8Li16e160.17000.17000.1700
Li9Li16e160.33300.33300.3330
Si17Si16e160.66100.66100.6610
Si18Si16e160.41500.41500.4150
Li12Li24f240.33300.00000.0000
Si20Si24f240.82200.00000.0000
Li11Li24g240.91700.25000.2500
Si19Si24g240.07200.25000.2500
Li13Li48h480.08900.41700.7450
Li14Li48h480.40800.91700.7470
Li15Li48h480.00000.83700.8370
Li16Li48h480.50000.83300.8330

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 432 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

A22B5_cF432_196_abcd6efg4h_2efg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF432, then the space-group number 196, then the Wyckoff letters occupied by each element in turn (Li: 4a; Li: 4b; Li: 4c; Li: 4d; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Li: 16e; Si: 16e; Si: 16e; Li: 24f; Si: 24f; Li: 24g; Si: 24g; Li: 48h; Li: 48h; Li: 48h; Li: 48h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Li₂₂Ge₅, Li₂₂Pb₅, Li₂₂Sn₅, Li₂₂Tl₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A22B5_cF432_196_abcd6efg4h_2efg-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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