Cs₃CoCl₅ (K3₁)

Unit cell

Lattice constants

a = 9.063 Å, b = 9.063 Å, c = 14.450 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1186.9 ų

Atoms in the conventional cell

36 (Cs 12, Co 4, Cl 20)

Formula units Z

4

Pearson symbol

tI36 — tetragonal, body-centred lattice, 36 atoms per conventional cell

Symmetry operations

32 per cell

Crystallographic sites

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 36 atoms drawn above are these sites multiplied by all 32 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

A5BC3_tI36_140_cl_b_ah-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI36, then the space-group number 140, then the Wyckoff letters occupied by each element in turn (Cs: 4a; Co: 4b; Cl: 4c; Cs: 8h; Cl: 16l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ba₃CrO₅, Ba₃SiO₅, Ba₃TiS₅, Cl₃OLi₅, Cs₃CdBr₅, Cs₃CdD₅, Cs₃CoBr₅, Cs₃CoCl₅, Cs₃FeBr₅, Cs₃FeCl₅, Cs₃MgD₅, Cs₃MnBr₅, Cs₃MnD₅, Cs₃MnI₅, Cs₃NiCl₅, Cs₃ZnBr₅, Cs₃ZnCl₅, Cs₃ZnH₅, Eu₃AlO₅, K₃MnH₅, K₃ZnH₅, La₃CrN₅, La₃MnN₅, La₃MoN₅, Pb₃OCe₅, Pb₃OLa₅, Rb₃CoBr₅, Rb₃MgD₅, Rb₃MnD₅, Rb₃ZnH₅, Sr₃CO₅, Tl₃CoCl₅, Tl₃FeCl₅, Cs₃CoBr₅, Cs₃ZnH₅, Rb₃ZnH₅, Ba₃MO₅, (M = tetravalent metal), CsBa₅Ti₂Se₉Cl, (Sr_{3-x}A_{x})AlO₄F, (A = Ba, Ca), M₃Mg(BH₄)₅, (M = Rb, Cs) <!--beginning with an

Note: K3₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A5BC3_tI36_140_cl_b_ah-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.