Materials Data on Ni2Mo by Materials Project

Abstract

Ni2Mo crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo is bonded to two equivalent Mo and ten equivalent Ni atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two equivalent MoNi10Mo2 cuboctahedra, corners with ten equivalent NiNi7Mo5 cuboctahedra, edges with twelve equivalent MoNi10Mo2 cuboctahedra, edges with twelve equivalent NiNi7Mo5 cuboctahedra, faces with four equivalent MoNi10Mo2 cuboctahedra, and faces with fourteen equivalent NiNi7Mo5 cuboctahedra. Both Mo–Mo bond lengths are 2.65 Å. There are two shorter (2.56 Å) and eight longer (2.61 Å) Mo–Ni bond lengths. Ni is bonded to five equivalent Mo and seven equivalent Ni atoms to form distorted NiNi7Mo5 cuboctahedra that share corners with five equivalent MoNi10Mo2 cuboctahedra, corners with seven equivalent NiNi7Mo5 cuboctahedra, edges with six equivalent MoNi10Mo2 cuboctahedra, edges with eighteen equivalent NiNi7Mo5 cuboctahedra, faces with seven equivalent MoNi10Mo2 cuboctahedra, and faces with eleven equivalent NiNi7Mo5 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.58–2.65 Å.