Materials Data on YFeCu by Materials Project

YFeCu is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Cu atoms. There are four shorter (3.04 Å) and two longer (3.06 Å) Y–Fe bond lengths. There are four shorter (2.99 Å) and two longer (3.13 Å) Y–Cu bond lengths. Fe is bonded to six equivalent Y, two equivalent Fe, and four equivalent Cu atoms to form FeY6Fe2Cu4 cuboctahedra that share corners with eight equivalent CuY6Fe4Cu2 cuboctahedra, corners with ten equivalent FeY6Fe2Cu4 cuboctahedra, edges with six equivalent FeY6Fe2Cu4 cuboctahedra, faces with six equivalent FeY6Fe2Cu4 cuboctahedra, and faces with twelve equivalent CuY6Fe4Cu2 cuboctahedra. Both Fe–Fe bond lengths are 2.53 Å. All Fe–Cu bond lengths are 2.61 Å. Cu is bonded to six equivalent Y, four equivalent Fe, and two equivalent Cu atoms to form CuY6Fe4Cu2 cuboctahedra that share corners with eight equivalent FeY6Fe2Cu4 cuboctahedra, corners with ten equivalent CuY6Fe4Cu2 cuboctahedra, edges with six equivalent CuY6Fe4Cu2 cuboctahedra, faces with six equivalent CuY6Fe4Cu2 cuboctahedra, and faces with twelve equivalent FeY6Fe2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.59 Å.