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Crystal Lab › Prototype structures › Monoclinic

Cr₂Te₄O₁₁

Monoclinic · space group P121/c1 (No. 14) · Pearson mP34

Symmetry elements and Wyckoff positions (interactive)

Cr₂Te₄O₁₁ in P121/c1

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

Unit cell

Lattice constants
a = 7.016 Å, b = 7.545 Å, c = 9.728 Å; α = 90.00°, β = 99.69°, γ = 90.00°
Cell volume
507.6 ų
Atoms in the conventional cell
34 (O 22, Cr 4, Te 8)
Formula units Z
2
Pearson symbol
mP34 — monoclinic, primitive lattice, 34 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O2O2a20.00000.00000.0000
Cr1Cr4e40.18080.50190.1158
O3O4e40.34200.64900.0134
O4O4e40.93700.64100.0483
O5O4e40.03200.37500.2377
O6O4e40.37300.31400.1571
O7O4e40.29500.62400.2879
Te8Te4e40.36030.85990.3238
Te9Te4e40.82770.86180.0842

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 34 atoms drawn above are these sites multiplied by all 4 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

A2B11C4_mP34_14_e_a5e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP34, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (O: 2a; Cr: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; Te: 4e; Te: 4e). 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 A2B11C4_mP34_14_e_a5e_2e-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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