Crystal Lab › Prototype structures › Orthorhombic
Li₂PrO₃
Orthorhombic · space group Cmmm (No. 65) · Pearson oC12
Symmetry elements and Wyckoff positions (interactive)
Li₂PrO₃ in Cmmm
SettingUnit cell
- Lattice constants
- a = 9.520 Å, b = 4.451 Å, c = 3.482 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 147.6 ų
- Atoms in the conventional cell
- 12 (O 6, Pr 2, Li 4)
- Formula units Z
- 2
- Pearson symbol
- oC12 — orthorhombic, base-centred lattice, 12 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O2 | O | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Pr4 | Pr | 2b | 2 | 0.5000 | 0.0000 | 0.0000 |
| Li1 | Li | 4h | 4 | 0.1556 | 0.0000 | 0.5000 |
| O3 | O | 4h | 4 | 0.3557 | 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 12 atoms drawn above are these sites multiplied by all 16 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
A2B3C_oC12_65_h_ah_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC12, then the space-group number 65, then the Wyckoff letters occupied by each element in turn (O: 2a; Pr: 2b; Li: 4h; O: 4h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Na₂PrO₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C_oC12_65_h_ah_b-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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