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Crystal Lab › Prototype structures › Hexagonal

Stibiopalladinite (Pd₅Sb₂)

Hexagonal · space group P63cm (No. 185) · Pearson hP42 · mineral: stibiopalladinite

Symmetry elements and Wyckoff positions (interactive)

Stibiopalladinite (Pd₅Sb₂) in P63cm

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

Unit cell

Lattice constants
a = 7.600 Å, b = 7.600 Å, c = 13.860 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
693.3 ų
Atoms in the conventional cell
42 (Pd 30, Sb 12)
Formula units Z
6
Pearson symbol
hP42 — hexagonal / trigonal, primitive lattice, 42 atoms per conventional cell
Symmetry operations
12 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Pd1Pd2a20.00000.00000.9510
Sb7Sb2a20.00000.00000.2350
Pd2Pd4b40.33330.66670.0930
Sb8Sb4b40.33330.66670.2880
Pd3Pd6c60.25900.00000.1150
Pd4Pd6c60.63000.00000.2120
Pd5Pd6c60.30600.00000.3200
Pd6Pd6c60.62400.00000.4250
Sb9Sb6c60.66100.00000.0180

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 42 atoms drawn above are these sites multiplied by all 12 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_hP42_185_ab4c_abc-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP42, then the space-group number 185, then the Wyckoff letters occupied by each element in turn (Pd: 2a; Sb: 2a; Pd: 4b; Sb: 4b; Pd: 6c; Pd: 6c; Pd: 6c; Pd: 6c; Sb: 6c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ni₅As₂ (orcelite) <!--beginning with an

Note: Stibiopalladinite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5B2_hP42_185_ab4c_abc-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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