Materials Data on ErFeRu by Materials Project

Abstract

ErRuFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Fe atoms. There are four shorter (3.04 Å) and two longer (3.07 Å) Er–Ru bond lengths. There are two shorter (3.05 Å) and four longer (3.11 Å) Er–Fe bond lengths. Ru is bonded to six equivalent Er, two equivalent Ru, and four equivalent Fe atoms to form distorted RuEr6Fe4Ru2 cuboctahedra that share corners with eight equivalent FeEr6Fe2Ru4 cuboctahedra, corners with ten equivalent RuEr6Fe4Ru2 cuboctahedra, edges with six equivalent RuEr6Fe4Ru2 cuboctahedra, faces with six equivalent RuEr6Fe4Ru2 cuboctahedra, and faces with twelve equivalent FeEr6Fe2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.68 Å. All Ru–Fe bond lengths are 2.62 Å. Fe is bonded to six equivalent Er, four equivalent Ru, and two equivalent Fe atoms to form FeEr6Fe2Ru4 cuboctahedra that share corners with eight equivalent RuEr6Fe4Ru2 cuboctahedra, corners with ten equivalent FeEr6Fe2Ru4 cuboctahedra, edges with six equivalent FeEr6Fe2Ru4 cuboctahedra, faces with six equivalent FeEr6Fe2Ru4 cuboctahedra, and faces with twelve equivalent RuEr6Fe4Ru2 cuboctahedra. Both Fe–Fe bond lengths are 2.56 Å.