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Crystal Lab › Prototype structures › Orthorhombic

Cs₂CuCl₄

Orthorhombic · space group Pnma (No. 62) · Pearson oP28

Symmetry elements and Wyckoff positions (interactive)

Cs₂CuCl₄ in Pnma

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

Unit cell

Lattice constants
a = 9.700 Å, b = 7.600 Å, c = 12.350 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
910.4 ų
Atoms in the conventional cell
28 (Cl 16, Cs 8, Cu 4)
Formula units Z
4
Pearson symbol
oP28 — orthorhombic, primitive lattice, 28 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cl1Cl4c40.50000.25000.1000
Cl2Cl4c40.83000.25000.9220
Cs3Cs4c40.12500.25000.1030
Cs4Cs4c40.00000.25000.6750
Cu5Cu4c40.73000.25000.0830
Cl6Cl8d80.80000.00000.1550

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 28 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

A4B2C_oP28_62_2cd_2c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP28, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cl: 4c; Cl: 4c; Cs: 4c; Cs: 4c; Cu: 4c; Cl: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Cs₂BeCl₄, Cs₂CdBr₄, Cs₂CdI₄, Cs₂CoCl₄, Cs₂CoI₄, Cs₂CuBr₄, Cs₂FeCl₄, Cs₂HgBr₄, Cs₂HgCl₄, Cs₂MgCl₄, Cs₂MgH₄, Cs₂MnBr₄, Cs₂ZnBr₄, Cs₂ZnCl₄, Cs₂ZnI₄, K₂BeF₄, K₂ZnBr₄, K₂ZnCl₄, Rb₂CoBr₄, Rb₂CoCl₄, Rb₂MgH₄, Rb₂ZnBr₄, Rb₂ZnCl₄, (NH₄)₂ZnBr₄, (NH₄)₂ZnCl₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B2C_oP28_62_2cd_2c_c-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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