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β-Gd₂(MoO₄)₃

Tetragonal · space group P-421m (No. 113) · Pearson tP34

Symmetry elements and Wyckoff positions (interactive)

β-Gd₂(MoO₄)₃ in P-421m

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

Unit cell

Lattice constants
a = 7.393 Å, b = 7.393 Å, c = 10.670 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
583.2 ų
Atoms in the conventional cell
34 (Mo 6, Gd 4, O 24)
Formula units Z
2
Pearson symbol
tP34 — tetragonal, primitive lattice, 34 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mo1Mo2a20.00000.00000.0000
Gd2Gd4e40.68740.18740.7376
Mo3Mo4e40.70660.20660.3569
O4O4e40.69520.19520.5195
O5O4e40.12890.62890.3109
O6O8f80.00170.77610.7005
O7O8f80.96070.81470.0955

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 34 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_tP34_113_e_ae_2e2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP34, then the space-group number 113, then the Wyckoff letters occupied by each element in turn (Mo: 2a; Gd: 4e; Mo: 4e; O: 4e; O: 4e; 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

Dy₂(MoO₄)₃, Eu₂(MoO₄)₃, Gd₂(MoO₄)₃, Nd₂(MoO₄)₃, Pr₂(MoO₄)₃, Sm₂(MoO₄)₃, Tb₂(MoO₄)₃ <!--beginning with an

Note: \beta-Gd₂(MoO₄)₃.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3C12_tP34_113_e_ae_2e2f-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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