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Crystal Lab › Prototype structures › Monoclinic

Gd₂Cl₃

Monoclinic · space group C12/m1 (No. 12) · Pearson mC20

Symmetry elements and Wyckoff positions (interactive)

Gd₂Cl₃ in C12/m1

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

Unit cell

Lattice constants
a = 18.935 Å, b = 3.895 Å, c = 13.846 Å; α = 90.00°, β = 148.42°, γ = 90.00°
Cell volume
534.7 ų
Atoms in the conventional cell
20 (Cl 12, Gd 8)
Formula units Z
4
Pearson symbol
mC20 — monoclinic, base-centred lattice, 20 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cl1Cl4i40.14740.00000.8065
Cl2Cl4i40.88680.00000.6561
Cl3Cl4i40.68130.00000.6317
Gd4Gd4i40.35790.00000.7677
Gd5Gd4i40.84380.00000.9807

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 20 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

A3B2_mC20_12_3i_2i-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC20, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Cl: 4i; Cl: 4i; Cl: 4i; Gd: 4i; Gd: 4i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Gd₂Br₃, Tb₂Cl₃, Y₂Cl₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2_mC20_12_3i_2i-002 (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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