Ni₅(TeO₃)₄Cl₂

Unit cell

Lattice constants

a = 26.630 Å, b = 5.246 Å, c = 16.735 Å; α = 90.00°, β = 144.24°, γ = 90.00°

Cell volume

1366.2 ų

Atoms in the conventional cell

92 (Ni 20, Cl 8, O 48, Te 16)

Formula units Z

4

Pearson symbol

mC92 — monoclinic, base-centred lattice, 92 atoms per conventional cell

Symmetry operations

8 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 92 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

A2B5C12D4_mC92_15_f_e2f_6f_2f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC92, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Ni: 4e; Cl: 8f; Ni: 8f; Ni: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; Te: 8f; Te: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Co₅(TeO₃)₄Br₂, Co₅(TeO₃)₄Cl₂, Co₅(TeO₃)₄I₂, Ni₅(TeO₃)₄Br₂, Ni₅(TeO₃)₄I₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B5C12D4_mC92_15_f_e2f_6f_2f-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.