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Crystal Lab › Prototype structures › Tetragonal

Ga₂Te₅

Tetragonal · space group I4/m (No. 87) · Pearson tI14

Symmetry elements and Wyckoff positions (interactive)

Ga₂Te₅ in I4/m

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

Unit cell

Lattice constants
a = 7.913 Å, b = 7.913 Å, c = 6.848 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
428.8 ų
Atoms in the conventional cell
14 (Te 10, Ga 4)
Formula units Z
2
Pearson symbol
tI14 — tetragonal, body-centred lattice, 14 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Te2Te2a20.00000.00000.0000
Ga1Ga4d40.00000.50000.2500
Te3Te8h80.19040.33180.0000

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 14 atoms drawn above are these sites multiplied by all 16 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

A2B5_tI14_87_d_ah-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI14, then the space-group number 87, then the Wyckoff letters occupied by each element in turn (Te: 2a; Ga: 4d; Te: 8h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B5_tI14_87_d_ah-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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