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Crystal Lab › Prototype structures › Tetragonal

β-LiSn

Tetragonal · space group I41/amd (No. 141) · Pearson tI24

Symmetry elements and Wyckoff positions (interactive)

β-LiSn in I41/amd

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

Unit cell

Lattice constants
a = 4.387 Å, b = 4.387 Å, c = 25.511 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
491.0 ų
Atoms in the conventional cell
24 (Li 12, Sn 12)
Formula units Z
12
Pearson symbol
tI24 — tetragonal, body-centred lattice, 24 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Li1Li4a40.00000.75000.1250
Sn3Sn4b40.00000.25000.3750
Li2Li8e80.00000.25000.7070
Sn4Sn8e80.00000.25000.5467

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 24 atoms drawn above are these sites multiplied by all 32 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

AB_tI24_141_ae_be-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI24, then the space-group number 141, then the Wyckoff letters occupied by each element in turn (Li: 4a; Sn: 4b; Li: 8e; Sn: 8e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

LiGe <!--beginning with an

Note: \beta-LiSn.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB_tI24_141_ae_be-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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