Materials Data on Nd3Sn7 by Materials Project

Abstract

Nd3Sn7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.29–3.59 Å. In the second Nd site, Nd is bonded to twelve Sn atoms to form a mixture of corner and face-sharing NdSn12 cuboctahedra. There are a spread of Nd–Sn bond distances ranging from 3.22–3.45 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four Nd and six Sn atoms. There are four shorter (3.22 Å) and two longer (3.42 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Nd and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.04 Å. In the third Sn site, Sn is bonded in a 4-coordinate geometry to four Nd and four equivalent Sn atoms. In the fourth Sn site, Sn is bonded in a square co-planar geometry to four equivalent Nd and four equivalent Sn atoms.