Materials Data on CrNi2 by Materials Project

Abstract

Ni2Cr crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cr is bonded to two equivalent Cr and ten equivalent Ni atoms to form CrCr2Ni10 cuboctahedra that share corners with two equivalent CrCr2Ni10 cuboctahedra, corners with ten equivalent NiCr5Ni7 cuboctahedra, edges with twelve equivalent CrCr2Ni10 cuboctahedra, edges with twelve equivalent NiCr5Ni7 cuboctahedra, faces with four equivalent CrCr2Ni10 cuboctahedra, and faces with fourteen equivalent NiCr5Ni7 cuboctahedra. Both Cr–Cr bond lengths are 2.47 Å. There are two shorter (2.48 Å) and eight longer (2.49 Å) Cr–Ni bond lengths. Ni is bonded to five equivalent Cr and seven equivalent Ni atoms to form NiCr5Ni7 cuboctahedra that share corners with five equivalent CrCr2Ni10 cuboctahedra, corners with seven equivalent NiCr5Ni7 cuboctahedra, edges with six equivalent CrCr2Ni10 cuboctahedra, edges with eighteen equivalent NiCr5Ni7 cuboctahedra, faces with seven equivalent CrCr2Ni10 cuboctahedra, and faces with eleven equivalent NiCr5Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.46–2.50 Å.