Materials Data on ReSn2Se by Materials Project

Abstract

ReSn2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Re is bonded in a distorted body-centered cubic geometry to four equivalent Sn and four equivalent Se atoms. All Re–Sn bond lengths are 2.97 Å. All Re–Se bond lengths are 2.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sn and four equivalent Se atoms to form distorted edge-sharing SnSn4Se4 tetrahedra. All Sn–Sn bond lengths are 2.97 Å. All Sn–Se bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn atoms. Se is bonded in a body-centered cubic geometry to four equivalent Re and four equivalent Sn atoms.