Materials Data on Sc2SnAu2 by Materials Project

Abstract

Sc2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.83 Å) and four longer (2.95 Å) Sc–Au bond lengths. All Sc–Sn bond lengths are 3.41 Å. In the second Sc site, Sc is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.85 Å) and four longer (2.88 Å) Sc–Au bond lengths. All Sc–Sn bond lengths are 3.32 Å. Au is bonded in a 8-coordinate geometry to six Sc and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.02 Å. Sn is bonded in a 12-coordinate geometry to eight Sc and four equivalent Au atoms.