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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Pd1 | Pd | 2a | 2 | 0.0000 | 0.0000 | 0.9510 |
| Sb7 | Sb | 2a | 2 | 0.0000 | 0.0000 | 0.2350 |
| Pd2 | Pd | 4b | 4 | 0.3333 | 0.6667 | 0.0930 |
| Sb8 | Sb | 4b | 4 | 0.3333 | 0.6667 | 0.2880 |
| Pd3 | Pd | 6c | 6 | 0.2590 | 0.0000 | 0.1150 |
| Pd4 | Pd | 6c | 6 | 0.6300 | 0.0000 | 0.2120 |
| Pd5 | Pd | 6c | 6 | 0.3060 | 0.0000 | 0.3200 |
| Pd6 | Pd | 6c | 6 | 0.6240 | 0.0000 | 0.4250 |
| Sb9 | Sb | 6c | 6 | 0.6610 | 0.0000 | 0.0180 |
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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