Crystal Lab › Prototype structures › Monoclinic
Rb₂Cu{2}(MoO₄)₃
Monoclinic · space group C12/c1 (No. 15) · Pearson mC152
Symmetry elements and Wyckoff positions (interactive)
Rb₂Cu{2}(MoO₄)₃ in C12/c1
SettingUnit cell
- Lattice constants
- a = 27.628 Å, b = 5.102 Å, c = 38.101 Å; α = 90.00°, β = 151.08°, γ = 90.00°
- Cell volume
- 2596.9 ų
- Atoms in the conventional cell
- 152 (Rb 16, Cu 16, Mo 24, O 96)
- Formula units Z
- 8
- Pearson symbol
- mC152 — monoclinic, base-centred lattice, 152 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Rb18 | Rb | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| Rb19 | Rb | 4e | 4 | 0.0000 | 0.5473 | 0.2500 |
| Cu1 | Cu | 8f | 8 | 0.7201 | 0.0125 | 0.5475 |
| Cu2 | Cu | 8f | 8 | 0.1042 | 0.9863 | 0.9537 |
| Mo3 | Mo | 8f | 8 | 0.8399 | 0.4848 | 0.5731 |
| Mo4 | Mo | 8f | 8 | 0.0442 | 0.5018 | 0.6108 |
| Mo5 | Mo | 8f | 8 | 0.2279 | 0.5124 | 0.8643 |
| O10 | O | 8f | 8 | 0.8486 | 0.3746 | 0.8030 |
| O11 | O | 8f | 8 | 0.9328 | 0.5467 | 0.9187 |
| O12 | O | 8f | 8 | 0.9805 | 0.8066 | 0.8828 |
| O13 | O | 8f | 8 | 0.0625 | 0.2853 | 0.9538 |
| O14 | O | 8f | 8 | 0.3822 | 0.8328 | 0.2151 |
| O15 | O | 8f | 8 | 0.2135 | 0.0429 | 0.1383 |
| O16 | O | 8f | 8 | 0.2961 | 0.2947 | 0.1299 |
| O17 | O | 8f | 8 | 0.1896 | 0.7869 | 0.0567 |
| O6 | O | 8f | 8 | 0.4357 | 0.2360 | 0.1315 |
| O7 | O | 8f | 8 | 0.3723 | 0.7981 | 0.1259 |
| O8 | O | 8f | 8 | 0.1695 | 0.6850 | 0.9734 |
| O9 | O | 8f | 8 | 0.2266 | 0.1928 | 0.0179 |
| Rb20 | Rb | 8f | 8 | 0.7961 | 0.9470 | 0.7267 |
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 152 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
A2B3C12D2_mC152_15_2f_3f_12f_aef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC152, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Rb: 4a; Rb: 4e; Cu: 8f; Cu: 8f; Mo: 8f; Mo: 8f; Mo: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; Rb: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cs₂Cu{2}(MoO₄)₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C12D2_mC152_15_2f_3f_12f_aef-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.
← Ag₂PbO₂ · Space group C12/c1 (75 prototypes) · All prototypes · α-Gd₂(MoO₄)₃ →