Materials Data on Er3Sn by Materials Project
Er3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Sn atoms to form distorted ErEr8Sn4 cuboctahedra that share corners with twelve equivalent ErEr8Sn4 cuboctahedra, edges with eight equivalent ErEr8Sn4 cuboctahedra, edges with eight equivalent SnEr12 cuboctahedra, faces with four equivalent SnEr12 cuboctahedra, and faces with ten equivalent ErEr8Sn4 cuboctahedra. There are four shorter (3.28 Å) and four longer (3.46 Å) Er–Er bond lengths. All Er–Sn bond lengths are 3.46 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Sn atoms. All Er–Sn bond lengths are 3.28 Å. Sn is bonded to twelve Er atoms to form SnEr12 cuboctahedra that share corners with four equivalent SnEr12 cuboctahedra, edges with eight equivalent SnEr12 cuboctahedra, edges with sixteen equivalent ErEr8Sn4 cuboctahedra, faces with four equivalent SnEr12 cuboctahedra, and faces with eight equivalent ErEr8Sn4 cuboctahedra.