Crystal Lab › Prototype structures › Monoclinic
α-Gd₂(MoO₄)₃
Monoclinic · space group C12/c1 (No. 15) · Pearson mC68
Symmetry elements and Wyckoff positions (interactive)
α-Gd₂(MoO₄)₃ in C12/c1
SettingUnit cell
- Lattice constants
- a = 7.549 Å, b = 11.439 Å, c = 11.468 Å; α = 90.00°, β = 109.32°, γ = 90.00°
- Cell volume
- 934.5 ų
- Atoms in the conventional cell
- 68 (Mo 12, Gd 8, O 48)
- Formula units Z
- 4
- Pearson symbol
- mC68 — monoclinic, base-centred lattice, 68 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mo2 | Mo | 4e | 4 | 0.0000 | 0.1276 | 0.2500 |
| Gd1 | Gd | 8f | 8 | 0.8320 | 0.8767 | 0.4092 |
| Mo3 | Mo | 8f | 8 | 0.6494 | 0.8884 | 0.0599 |
| O4 | O | 8f | 8 | 0.1675 | 0.0413 | 0.2187 |
| O5 | O | 8f | 8 | 0.1367 | 0.2071 | 0.3917 |
| O6 | O | 8f | 8 | 0.7448 | 0.8140 | 0.2017 |
| O7 | O | 8f | 8 | 0.8607 | 0.9563 | 0.0396 |
| O8 | O | 8f | 8 | 0.5455 | 0.9605 | 0.4044 |
| O9 | O | 8f | 8 | 0.4555 | 0.2157 | 0.0586 |
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 68 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
A2B3C12_mC68_15_f_ef_6f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC68, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Mo: 4e; Gd: 8f; Mo: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Eu₂(MoO₄)₃, Eu₂(WO₄)₃, Sm₂(MoO₄)₃ <!--beginning with an
Note: α-Gd₂(MoO₄)₃.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C12_mC68_15_f_ef_6f-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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