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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Fe1Fe3a30.00000.00000.0000
W3W6c60.00000.00000.1670
W4W6c60.00000.00000.3460
W5W6c60.00000.00000.4480
Fe2Fe18h180.50000.50000.5900

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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