Materials Data on ErMnFe by Materials Project
ErMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Er, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.12 Å) and two longer (3.13 Å) Er–Er bond lengths. There are four shorter (2.98 Å) and two longer (3.00 Å) Er–Mn bond lengths. There are two shorter (2.99 Å) and four longer (3.00 Å) Er–Fe bond lengths. Mn is bonded to six equivalent Er, two equivalent Mn, and four equivalent Fe atoms to form MnEr6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeEr6Mn4Fe2 cuboctahedra, corners with ten equivalent MnEr6Mn2Fe4 cuboctahedra, edges with six equivalent MnEr6Mn2Fe4 cuboctahedra, faces with six equivalent MnEr6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeEr6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.56 Å. All Mn–Fe bond lengths are 2.55 Å. Fe is bonded to six equivalent Er, four equivalent Mn, and two equivalent Fe atoms to form FeEr6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnEr6Mn2Fe4 cuboctahedra, corners with ten equivalent FeEr6Mn4Fe2 cuboctahedra, edges with six equivalent FeEr6Mn4Fe2 cuboctahedra, faces with six equivalent FeEr6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnEr6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.54 Å.