Symmetry elements and Wyckoff positions (interactive)
S₃U₄ in Pm-3m
SettingUnit cell
- Lattice constants
- a = 5.490 Å, b = 5.490 Å, c = 5.490 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 165.5 ų
- Atoms in the conventional cell
- 7 (U 4, S 3)
- Formula units Z
- 1
- Pearson symbol
- cP7 — cubic, primitive lattice, 7 atoms per conventional cell
- Symmetry operations
- 48 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| U2 | U | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| U3 | U | 3c | 3 | 0.0000 | 0.5000 | 0.5000 |
| S1 | S | 3d | 3 | 0.5000 | 0.0000 | 0.0000 |
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 7 atoms drawn above are these sites multiplied by all 48 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
A3B4_cP7_221_d_ac-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP7, then the space-group number 221, then the Wyckoff letters occupied by each element in turn (U: 1a; U: 3c; S: 3d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
NbC <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B4_cP7_221_d_ac-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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