Crystal Lab › Prototype structures › Hexagonal
W₂B₅ (D8_{h})
Hexagonal · space group P63/mmc (No. 194) · Pearson hP14 · Strukturbericht D8h
Symmetry elements and Wyckoff positions (interactive)
W₂B₅ (D8_{h}) in P63/mmc
SettingUnit cell
- Lattice constants
- a = 2.982 Å, b = 2.982 Å, c = 13.870 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 106.8 ų
- Atoms in the conventional cell
- 14 (B 10, W 4)
- Formula units Z
- 2
- Pearson symbol
- hP14 — hexagonal / trigonal, primitive lattice, 14 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| B1 | B | 2a | 2 | 0.0000 | 1.0000 | 0.0000 |
| B2 | B | 2b | 2 | 0.0000 | 1.0000 | 0.2500 |
| B3 | B | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| B4 | B | 4f | 4 | 0.3333 | 0.6667 | 0.0280 |
| W5 | W | 4f | 4 | 0.3333 | 0.6667 | 0.6390 |
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 14 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
A5B2_hP14_194_abcf_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP14, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (B: 2a; B: 2b; B: 2c; B: 4f; W: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Os₂B₅, Ru₂B₅, Ti₂B₅ <!--beginning with an
Note: D8_{h}.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B2_hP14_194_abcf_f-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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