Symmetry elements and Wyckoff positions (interactive)
H₃P in P4232
SettingUnit cell
- Lattice constants
- a = 6.310 Å, b = 6.310 Å, c = 6.310 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 251.2 ų
- Atoms in the conventional cell
- 16 (P 4, H 12)
- Formula units Z
- 4
- Pearson symbol
- cP16 — cubic, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| P2 | P | 4c | 4 | 0.7500 | 0.7500 | 0.7500 |
| H1 | H | 12i | 12 | 0.6840 | 0.0000 | 0.5000 |
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 16 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
A3B_cP16_208_i_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP16, then the space-group number 208, then the Wyckoff letters occupied by each element in turn (P: 4c; H: 12i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
H₃As <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B_cP16_208_i_c-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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