Crystal Lab › Prototype structures › Trigonal
Fe₇W₆ (D8₅) μ-phase
Trigonal · space group R-3m (No. 166) · Pearson hR13 · Strukturbericht D85
Symmetry elements and Wyckoff positions (interactive)
Fe₇W₆ (D8₅) μ-phase in R-3m
SettingUnit cell
- Lattice constants
- a = 4.757 Å, b = 4.757 Å, c = 25.840 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 506.4 ų
- Atoms in the conventional cell
- 39 (Fe 21, W 18)
- Formula units Z
- 3
- Pearson symbol
- hR13 — hexagonal / trigonal, rhombohedral lattice, 13 atoms per conventional cell
- Symmetry operations
- 36 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Fe1 | Fe | 3a | 3 | 0.0000 | 0.0000 | 0.0000 |
| W3 | W | 6c | 6 | 0.0000 | 0.0000 | 0.1670 |
| W4 | W | 6c | 6 | 0.0000 | 0.0000 | 0.3460 |
| W5 | W | 6c | 6 | 0.0000 | 0.0000 | 0.4480 |
| Fe2 | Fe | 18h | 18 | 0.5000 | 0.5000 | 0.5900 |
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 39 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
A7B6_hR13_166_ah_3c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR13, then the space-group number 166, then the Wyckoff letters occupied by each element in turn (Fe: 3a; W: 6c; W: 6c; W: 6c; Fe: 18h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Co₇Mo₆, Co₇W₆, Fe₇Mo₆, Fe₇Nb₆, Fe₇Ta₆, Mo₇Co₆, Si₇Mn₆, Ta₇Fe₆, Zn₇Ta₆, Co₆Re₆Si <!--beginning with an
Note: D8₅.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B6_hR13_166_ah_3c-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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