Crystal Lab › Prototype structures › Monoclinic
α-Na₂U₂O₇ Na₂O₇U₂
Monoclinic · space group P121/c1 (No. 14) · Pearson mP44
Symmetry elements and Wyckoff positions (interactive)
α-Na₂U₂O₇ in P121/c1
SettingUnit cell
- Lattice constants
- a = 12.122 Å, b = 7.838 Å, c = 12.762 Å; α = 90.00°, β = 147.52°, γ = 90.00°
- Cell volume
- 651.2 ų
- Atoms in the conventional cell
- 44 (Na 8, O 28, U 8)
- Formula units Z
- 4
- Pearson symbol
- mP44 — monoclinic, primitive lattice, 44 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Na1 | Na | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Na2 | Na | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| Na3 | Na | 4e | 4 | 0.4920 | 0.2580 | 0.5180 |
| O4 | O | 4e | 4 | 0.1230 | 0.9620 | 0.8920 |
| O5 | O | 4e | 4 | 0.3020 | 0.6810 | 0.0420 |
| O6 | O | 4e | 4 | 0.3470 | 0.2700 | 0.0740 |
| O7 | O | 4e | 4 | 0.0900 | 0.7640 | 0.6840 |
| O8 | O | 4e | 4 | 0.0990 | 0.2060 | 0.6970 |
| O9 | O | 4e | 4 | 0.6250 | 0.5260 | 0.2160 |
| O10 | O | 4e | 4 | 0.5770 | 0.0910 | 0.1670 |
| U11 | U | 4e | 4 | 0.0080 | 0.2620 | 0.7620 |
| U12 | U | 4e | 4 | 0.4700 | 0.0170 | 0.2285 |
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 44 atoms drawn above are these sites multiplied by all 4 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
A2B7C2_mP44_14_ace_7e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP44, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Na: 2a; Na: 2c; Na: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; U: 4e; U: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: α-Na₂U₂O₇.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B7C2_mP44_14_ace_7e_2e-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.
← α-Ca₂P₂O₇ — Ca₂O₇P₂ · Space group P121/c1 (98 prototypes) · All prototypes · (AlPO₄)₂(OH)(H₂O)₂cdotNH₄ [AlPO₄-15 Framework] →