Crystal Lab › Prototype structures › Cubic
γ-Fe₂O₃ (D5₇)
Cubic · space group P4332 (No. 212) · Pearson cP60 · Strukturbericht D57
Symmetry elements and Wyckoff positions (interactive)
γ-Fe₂O₃ (D5₇) in P4332
SettingUnit cell
- Lattice constants
- a = 8.400 Å, b = 8.400 Å, c = 8.400 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 592.7 ų
- Atoms in the conventional cell
- 60 (Fe 24, O 36)
- Formula units Z
- 12
- Pearson symbol
- cP60 — cubic, primitive lattice, 60 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Fe1 | Fe | 4a | 4 | 0.1250 | 0.1250 | 0.1250 |
| O4 | O | 4b | 4 | 0.6250 | 0.6250 | 0.6250 |
| Fe2 | Fe | 8c | 8 | 0.5000 | 0.5000 | 0.5000 |
| O5 | O | 8c | 8 | 0.3710 | 0.3710 | 0.3710 |
| Fe3 | Fe | 12d | 12 | 0.1250 | 0.6250 | 0.6250 |
| O6 | O | 24e | 24 | 0.8780 | 0.6290 | 0.1290 |
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 60 atoms drawn above are these sites multiplied by all 24 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
A2B3_cP60_212_acd_bce-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP60, then the space-group number 212, then the Wyckoff letters occupied by each element in turn (Fe: 4a; O: 4b; Fe: 8c; O: 8c; Fe: 12d; O: 24e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
γ-Al₂O₃ (γ-corundum) <!--beginning with an
Note: D5₇, \gamma-Fe₂O₃.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_cP60_212_acd_bce-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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