Crystal Lab › Prototype structures › Orthorhombic
Cs₂CuCl₄
Orthorhombic · space group Pnma (No. 62) · Pearson oP28
Symmetry elements and Wyckoff positions (interactive)
Cs₂CuCl₄ in Pnma
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 4c | 4 | 0.5000 | 0.2500 | 0.1000 |
| Cl2 | Cl | 4c | 4 | 0.8300 | 0.2500 | 0.9220 |
| Cs3 | Cs | 4c | 4 | 0.1250 | 0.2500 | 0.1030 |
| Cs4 | Cs | 4c | 4 | 0.0000 | 0.2500 | 0.6750 |
| Cu5 | Cu | 4c | 4 | 0.7300 | 0.2500 | 0.0830 |
| Cl6 | Cl | 8d | 8 | 0.8000 | 0.0000 | 0.1550 |
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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