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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Rb18Rb4a40.00000.00000.0000
Rb19Rb4e40.00000.54730.2500
Cu1Cu8f80.72010.01250.5475
Cu2Cu8f80.10420.98630.9537
Mo3Mo8f80.83990.48480.5731
Mo4Mo8f80.04420.50180.6108
Mo5Mo8f80.22790.51240.8643
O10O8f80.84860.37460.8030
O11O8f80.93280.54670.9187
O12O8f80.98050.80660.8828
O13O8f80.06250.28530.9538
O14O8f80.38220.83280.2151
O15O8f80.21350.04290.1383
O16O8f80.29610.29470.1299
O17O8f80.18960.78690.0567
O6O8f80.43570.23600.1315
O7O8f80.37230.79810.1259
O8O8f80.16950.68500.9734
O9O8f80.22660.19280.0179
Rb20Rb8f80.79610.94700.7267

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.

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