α-Ba₈Ga₁₆Sn₃₀ Clathrate Ba₄Ga₈Sn₁₅

Unit cell

Lattice constants

a = 11.586 Å, b = 11.586 Å, c = 11.586 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1555.3 ų

Atoms in the conventional cell

54 (Sn 26, Ba 8, Ga 8, Ge 12)

Formula units Z

2

Pearson symbol

cI54 — cubic, body-centred lattice, 54 atoms per conventional cell

Symmetry operations

48 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 54 atoms drawn above are these sites multiplied by all 48 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

A4B4C6D13_cI54_217_c_c_d_ag-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI54, then the space-group number 217, then the Wyckoff letters occupied by each element in turn (Sn: 2a; Ba: 8c; Ga: 8c; Ge: 12d; Sn: 24g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ba₈Ga₁₆Ge₃₀ <!--beginning with an

Note: α-Ba₈Ga₁₆Sn₃₀ Clathrate.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B4C6D13_cI54_217_c_c_d_ag-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.