Hf₁₀Ta₃S₃

Unit cell

Lattice constants

a = 10.832 Å, b = 10.832 Å, c = 10.832 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1270.9 ų

Atoms in the conventional cell

64 (Hf 44, Ta 8, S 12)

Formula units Z

4

Pearson symbol

cI64 — cubic, body-centred lattice, 64 atoms per conventional cell

Symmetry operations

24 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 64 atoms drawn above are these sites multiplied by all 24 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

A11B3C2_cI64_197_cdf_e_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI64, then the space-group number 197, then the Wyckoff letters occupied by each element in turn (Hf: 8c; Ta: 8c; Hf: 12d; S: 12e; Hf: 24f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Hf₉ZrTa₃S₃, Hf₁₀TeNb₂S₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A11B3C2_cI64_197_cdf_e_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.