Materials Data on ScNiSn by Materials Project

Abstract

ScNiSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Ni and six equivalent Sn atoms. There are four shorter (2.84 Å) and one longer (2.85 Å) Sc–Ni bond lengths. There are two shorter (3.00 Å) and four longer (3.09 Å) Sc–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Sn atoms. All Ni–Sn bond lengths are 2.64 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Sn atoms. All Ni–Sn bond lengths are 2.66 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sc and four Ni atoms.