Crystal Lab › Prototype structures › Cubic
Na₁₁U₅O₁₆
Cubic · space group P4232 (No. 208) · Pearson cP64
Symmetry elements and Wyckoff positions (interactive)
Na₁₁U₅O₁₆ in P4232
SettingUnit cell
- Lattice constants
- a = 9.543 Å, b = 9.543 Å, c = 9.543 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 869.1 ų
- Atoms in the conventional cell
- 64 (O 32, Na 22, U 10)
- Formula units Z
- 2
- Pearson symbol
- cP64 — cubic, primitive lattice, 64 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O4 | O | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Na1 | Na | 4b | 4 | 0.2500 | 0.2500 | 0.2500 |
| U7 | U | 4c | 4 | 0.7500 | 0.7500 | 0.7500 |
| O5 | O | 6d | 6 | 0.0000 | 0.5000 | 0.5000 |
| U8 | U | 6e | 6 | 0.2500 | 0.0000 | 0.5000 |
| Na2 | Na | 6f | 6 | 0.2500 | 0.5000 | 0.0000 |
| Na3 | Na | 12h | 12 | 0.2500 | 0.0000 | 0.0000 |
| O6 | O | 24m | 24 | 0.2500 | 0.2500 | 0.5200 |
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 64 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
A11B16C5_cP64_208_bfh_adm_ce-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP64, then the space-group number 208, then the Wyckoff letters occupied by each element in turn (O: 2a; Na: 4b; U: 4c; O: 6d; U: 6e; Na: 6f; Na: 12h; O: 24m). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A11B16C5_cP64_208_bfh_adm_ce-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.