Crystal Lab › Prototype structures › Orthorhombic
CsPr(MoO₄)₂
Orthorhombic · space group Pccm (No. 49) · Pearson oP24
Symmetry elements and Wyckoff positions (interactive)
CsPr(MoO₄)₂ in Pccm
SettingUnit cell
- Lattice constants
- a = 9.560 Å, b = 5.140 Å, c = 8.260 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 405.9 ų
- Atoms in the conventional cell
- 24 (Cs 2, Pr 2, Mo 4, O 16)
- Formula units Z
- 2
- Pearson symbol
- oP24 — orthorhombic, primitive lattice, 24 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs1 | Cs | 2e | 2 | 0.0000 | 0.0000 | 0.2500 |
| Pr6 | Pr | 2f | 2 | 0.5000 | 0.0000 | 0.2500 |
| Mo2 | Mo | 4q | 4 | 0.7004 | 0.5184 | 0.0000 |
| O3 | O | 4q | 4 | 0.5697 | 0.2580 | 0.0000 |
| O4 | O | 4q | 4 | 0.8693 | 0.3652 | 0.0000 |
| O5 | O | 8r | 8 | 0.6943 | 0.7383 | 0.1714 |
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 24 atoms drawn above are these sites multiplied by all 8 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
AB2C8D_oP24_49_e_q_2qr_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP24, then the space-group number 49, then the Wyckoff letters occupied by each element in turn (Cs: 2e; Pr: 2f; Mo: 4q; O: 4q; O: 4q; O: 8r). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CsDy(MoO₄)₂, CsEu(MoO₄)₂, CsGd(MoO₄)₂, α-CsLu(MoO₄)₂, CsNd(MoO₄)₂, CsSm(MoO₄)₂, CsTh(MoO₄)₂, α-CsTm(MoO₄)₂, CsY(MoO₄)₂, α-CsYb(MoO₄)₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C8D_oP24_49_e_q_2qr_f-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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