Materials Data on Co3Sn2 by Materials Project

Abstract

Co3Sn2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to five Co and six Sn atoms. There are a spread of Co–Co bond distances ranging from 2.50–2.76 Å. There are three shorter (2.74 Å) and three longer (2.76 Å) Co–Sn bond lengths. In the second Co site, Co is bonded to six equivalent Co and five Sn atoms to form a mixture of distorted corner and face-sharing CoCo6Sn5 trigonal bipyramids. There are three shorter (2.44 Å) and two longer (2.53 Å) Co–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to eight Co atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Co atoms.