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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
B1B2a20.00001.00000.0000
B2B2b20.00001.00000.2500
B3B2c20.33330.66670.2500
B4B4f40.33330.66670.0280
W5W4f40.33330.66670.6390

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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