Materials Data on Ni3Sn2 by Materials Project

Abstract

Ni3Sn2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to six equivalent Ni and five Sn atoms. There are four shorter (2.65 Å) and two longer (2.72 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.50–2.61 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Sn atoms. There are one shorter (2.56 Å) and one longer (2.66 Å) Ni–Ni bond lengths. There are a spread of Ni–Sn bond distances ranging from 2.61–2.91 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight Ni and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.18 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to nine Ni atoms.