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Crystal Lab › Prototype structures › Tetragonal

CuCr₂O₄

Tetragonal · space group I41/amd (No. 141) · Pearson tI28

Symmetry elements and Wyckoff positions (interactive)

CuCr₂O₄ in I41/amd

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

Unit cell

Lattice constants
a = 6.030 Å, b = 6.030 Å, c = 7.782 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
283.0 ų
Atoms in the conventional cell
28 (Cu 4, Cr 8, O 16)
Formula units Z
4
Pearson symbol
tI28 — tetragonal, body-centred lattice, 28 atoms per conventional cell
Symmetry operations
32 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cu2Cu4b40.00000.25000.3750
Cr1Cr8c80.00000.00000.0000
O3O16h160.00000.52620.2551

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 28 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

A2BC4_tI28_141_c_b_h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI28, then the space-group number 141, then the Wyckoff letters occupied by each element in turn (Cu: 4b; Cr: 8c; O: 16h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CdMn₂O₄, CoMn₂O₄, CuMn₂O₄, FeCr₂S₄, GeCo₂O₄, MgMn₂O₄, NiCr₂O₄, ZnMn₂O₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BC4_tI28_141_c_b_h-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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