Materials Data on NdNiRu by Materials Project
NdRuNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Ru and six equivalent Ni atoms. There are four shorter (3.12 Å) and two longer (3.17 Å) Nd–Ru bond lengths. There are four shorter (3.06 Å) and two longer (3.21 Å) Nd–Ni bond lengths. Ru is bonded to six equivalent Nd, two equivalent Ru, and four equivalent Ni atoms to form RuNd6Ni4Ru2 cuboctahedra that share corners with eight equivalent NiNd6Ni2Ru4 cuboctahedra, corners with ten equivalent RuNd6Ni4Ru2 cuboctahedra, edges with six equivalent RuNd6Ni4Ru2 cuboctahedra, faces with six equivalent RuNd6Ni4Ru2 cuboctahedra, and faces with twelve equivalent NiNd6Ni2Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.58 Å. All Ru–Ni bond lengths are 2.68 Å. Ni is bonded to six equivalent Nd, four equivalent Ru, and two equivalent Ni atoms to form NiNd6Ni2Ru4 cuboctahedra that share corners with eight equivalent RuNd6Ni4Ru2 cuboctahedra, corners with ten equivalent NiNd6Ni2Ru4 cuboctahedra, edges with six equivalent NiNd6Ni2Ru4 cuboctahedra, faces with six equivalent NiNd6Ni2Ru4 cuboctahedra, and faces with twelve equivalent RuNd6Ni4Ru2 cuboctahedra. Both Ni–Ni bond lengths are 2.66 Å.