Materials Data on Re3Sn by Materials Project

Abstract

Re3Sn crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Sn atoms to form ReRe8Sn4 cuboctahedra that share corners with twelve equivalent ReRe8Sn4 cuboctahedra, edges with eight equivalent SnRe12 cuboctahedra, edges with sixteen ReRe8Sn4 cuboctahedra, faces with four equivalent SnRe12 cuboctahedra, and faces with fourteen ReRe8Sn4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.87 Å) Re–Re bond lengths. All Re–Sn bond lengths are 2.87 Å. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Sn atoms to form ReRe8Sn4 cuboctahedra that share corners with four equivalent ReRe8Sn4 cuboctahedra, corners with eight equivalent SnRe12 cuboctahedra, edges with twenty-four ReRe8Sn4 cuboctahedra, faces with six equivalent SnRe12 cuboctahedra, and faces with twelve ReRe8Sn4 cuboctahedra. All Re–Sn bond lengths are 2.79 Å. Sn is bonded to twelve Re atoms to form SnRe12 cuboctahedra that share corners with four equivalent SnRe12 cuboctahedra, corners with eight equivalent ReRe8Sn4 cuboctahedra, edges with eight equivalent SnRe12 cuboctahedra, edges with sixteen equivalent ReRe8Sn4 cuboctahedra, faces with four equivalent SnRe12 cuboctahedra, and faces with fourteen ReRe8Sn4 cuboctahedra.