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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu2 | Cu | 4b | 4 | 0.0000 | 0.2500 | 0.3750 |
| Cr1 | Cr | 8c | 8 | 0.0000 | 0.0000 | 0.0000 |
| O3 | O | 16h | 16 | 0.0000 | 0.5262 | 0.2551 |
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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