Materials Data on Nd2Sn3 by Materials Project

Abstract

Nd2Sn3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.77 Å. In the second Nd site, Nd is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.22–3.59 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.13–3.62 Å. In the fourth Nd site, Nd is bonded in a 9-coordinate geometry to ten Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.26–3.78 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Nd and two Sn atoms. There are one shorter (2.97 Å) and one longer (3.20 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six Nd and two Sn atoms. There are one shorter (3.04 Å) and one longer (3.07 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms. There are one shorter (2.96 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to seven Nd and three Sn atoms. There are one shorter (3.09 Å) and one longer (3.32 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Nd and three Sn atoms. In the sixth Sn site, Sn is bonded in a 7-coordinate geometry to five Nd and two equivalent Sn atoms.