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Crystal Lab › Prototype structures › Trigonal

GeSb₂Te₄

Trigonal · space group R-3m (No. 166) · Pearson hR7

Symmetry elements and Wyckoff positions (interactive)

GeSb₂Te₄ in R-3m

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

Unit cell

Lattice constants
a = 4.210 Å, b = 4.210 Å, c = 40.600 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
623.2 ų
Atoms in the conventional cell
21 (Ge 3, Sb 6, Te 12)
Formula units Z
3
Pearson symbol
hR7 — hexagonal / trigonal, rhombohedral lattice, 7 atoms per conventional cell
Symmetry operations
36 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ge1Ge3a30.00000.00000.0000
Sb2Sb6c60.00000.00000.1440
Te3Te6c60.00000.00000.2900
Te4Te6c60.00000.00000.4320

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 21 atoms drawn above are these sites multiplied by all 36 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

AB2C4_hR7_166_a_c_2c-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR7, then the space-group number 166, then the Wyckoff letters occupied by each element in turn (Ge: 3a; Sb: 6c; Te: 6c; Te: 6c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

GeAs₂Te₄, GeBi₂Te₄, PbBi₂Te₄, PbSb₂Te₄, SnBi₂Te₄, SnSb₂Te₄, TeS₂Bi₄, BiSbSnTe₄, Bi₂Sb₂Te₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C4_hR7_166_a_c_2c-002 (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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