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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Mo2Mo4e40.00000.12760.2500
Gd1Gd8f80.83200.87670.4092
Mo3Mo8f80.64940.88840.0599
O4O8f80.16750.04130.2187
O5O8f80.13670.20710.3917
O6O8f80.74480.81400.2017
O7O8f80.86070.95630.0396
O8O8f80.54550.96050.4044
O9O8f80.45550.21570.0586

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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