Materials Data on ErIn2Sn by Materials Project

Abstract

ErIn2Sn is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er is bonded to eight equivalent In and four equivalent Sn atoms to form ErIn8Sn4 cuboctahedra that share corners with twelve equivalent ErIn8Sn4 cuboctahedra, edges with eight equivalent SnEr4In8 cuboctahedra, edges with sixteen equivalent InEr4In4Sn4 cuboctahedra, faces with four equivalent SnEr4In8 cuboctahedra, faces with six equivalent ErIn8Sn4 cuboctahedra, and faces with eight equivalent InEr4In4Sn4 cuboctahedra. All Er–In bond lengths are 3.30 Å. All Er–Sn bond lengths are 3.25 Å. In is bonded to four equivalent Er, four equivalent In, and four equivalent Sn atoms to form InEr4In4Sn4 cuboctahedra that share corners with twelve equivalent InEr4In4Sn4 cuboctahedra, edges with eight equivalent ErIn8Sn4 cuboctahedra, edges with eight equivalent InEr4In4Sn4 cuboctahedra, edges with eight equivalent SnEr4In8 cuboctahedra, faces with four equivalent ErIn8Sn4 cuboctahedra, faces with four equivalent SnEr4In8 cuboctahedra, and faces with ten equivalent InEr4In4Sn4 cuboctahedra. All In–In bond lengths are 3.25 Å. All In–Sn bond lengths are 3.30 Å. Sn is bonded to four equivalent Er and eight equivalent In atoms to form SnEr4In8 cuboctahedra that share corners with twelve equivalent SnEr4In8 cuboctahedra, edges with eight equivalent ErIn8Sn4 cuboctahedra, edges with sixteen equivalent InEr4In4Sn4 cuboctahedra, faces with four equivalent ErIn8Sn4 cuboctahedra, faces with six equivalent SnEr4In8 cuboctahedra, and faces with eight equivalent InEr4In4Sn4 cuboctahedra.