Materials Data on Sn7Ir5 by Materials Project

Abstract

Ir5Sn7 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Ir–Sn bond distances ranging from 2.72–2.88 Å. In the second Ir site, Ir is bonded in a square pyramidal geometry to five Sn atoms. All Ir–Sn bond lengths are 2.63 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to five Ir atoms. In the second Sn site, Sn is bonded to four equivalent Ir atoms to form distorted edge-sharing SnIr4 tetrahedra. In the third Sn site, Sn is bonded in a 5-coordinate geometry to five Ir atoms.