CsV₈Sb₁₂

Unit cell

Lattice constants

a = 36.227 Å, b = 5.556 Å, c = 9.523 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1916.8 ų

Atoms in the conventional cell

84 (Cs 4, V 32, Sb 48)

Formula units Z

4

Pearson symbol

oF84 — orthorhombic, face-centred lattice, 84 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 84 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

AB12C8_oF84_69_a_2g2n_fgl-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oF84, then the space-group number 69, then the Wyckoff letters occupied by each element in turn (Cs: 4a; V: 8f; Sb: 8g; Sb: 8g; V: 8g; V: 16l; Sb: 16n; Sb: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB12C8_oF84_69_a_2g2n_fgl-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.