Materials Data on Er3Ge by Materials Project

Er3Ge 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 Ge atoms to form distorted ErEr8Ge4 cuboctahedra that share corners with twelve equivalent ErEr8Ge4 cuboctahedra, edges with eight equivalent ErEr8Ge4 cuboctahedra, edges with eight equivalent GeEr12 cuboctahedra, faces with four equivalent GeEr12 cuboctahedra, and faces with ten equivalent ErEr8Ge4 cuboctahedra. There are four shorter (3.16 Å) and four longer (3.39 Å) Er–Er bond lengths. All Er–Ge bond lengths are 3.39 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Ge atoms. All Er–Ge bond lengths are 3.16 Å. Ge is bonded to twelve Er atoms to form GeEr12 cuboctahedra that share corners with four equivalent GeEr12 cuboctahedra, edges with eight equivalent GeEr12 cuboctahedra, edges with sixteen equivalent ErEr8Ge4 cuboctahedra, faces with four equivalent GeEr12 cuboctahedra, and faces with eight equivalent ErEr8Ge4 cuboctahedra.