Materials Data on ThCoSn by Materials Project

Abstract

ThCoSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 11-coordinate geometry to five Co and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.04 Å) Th–Co bond lengths. There are two shorter (3.21 Å) and four longer (3.35 Å) Th–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Sn atoms. All Co–Sn bond lengths are 2.82 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Co–Sn bond lengths are 2.74 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Th and four Co atoms.