Ni2Mo crystallizes in the orthorhombic Immm space group. Mo(1) is bonded to two equivalent Mo(1) and ten equivalent Ni(1) atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two equivalent Mo(1)Ni10Mo2 cuboctahedra, corners with ten equivalent Ni(1)Ni7Mo5 cuboctahedra, edges with twelve equivalent Mo(1)Ni10Mo2 cuboctahedra, edges with twelve equivalent Ni(1)Ni7Mo5 cuboctahedra, faces with four equivalent Mo(1)Ni10Mo2 cuboctahedra, and faces with fourteen equivalent Ni(1)Ni7Mo5 cuboctahedra. Ni(1) is bonded to five equivalent Mo(1) and seven equivalent Ni(1) atoms to form distorted NiNi7Mo5 cuboctahedra that share corners with five equivalent Mo(1)Ni10Mo2 cuboctahedra, corners with seven equivalent Ni(1)Ni7Mo5 cuboctahedra, edges with six equivalent Mo(1)Ni10Mo2 cuboctahedra, edges with eighteen equivalent Ni(1)Ni7Mo5 cuboctahedra, faces with seven equivalent Mo(1)Ni10Mo2 cuboctahedra, and faces with eleven equivalent Ni(1)Ni7Mo5 cuboctahedra.
Ni2Mo crystallizes in the orthorhombic Immm space group. Mo(1) is bonded to two equivalent Mo(1) and ten equivalent Ni(1) atoms to form distorted MoNi10Mo2 cuboctahedra that share corners with two equivalent Mo(1)Ni10Mo2 cuboctahedra, corners with ten equivalent Ni(1)Ni7Mo5 cuboctahedra, edges with twelve equivalent Mo(1)Ni10Mo2 cuboctahedra, edges with twelve equivalent Ni(1)Ni7Mo5 cuboctahedra, faces with four equivalent Mo(1)Ni10Mo2 cuboctahedra, and faces with fourteen equivalent Ni(1)Ni7Mo5 cuboctahedra. Both Mo(1)-Mo(1) bond lengths are 2.60 Å. There are two shorter (2.53 Å) and eight longer (2.58 Å) Mo(1)-Ni(1) bond lengths. Ni(1) is bonded to five equivalent Mo(1) and seven equivalent Ni(1) atoms to form distorted NiNi7Mo5 cuboctahedra that share corners with five equivalent Mo(1)Ni10Mo2 cuboctahedra, corners with seven equivalent Ni(1)Ni7Mo5 cuboctahedra, edges with six equivalent Mo(1)Ni10Mo2 cuboctahedra, edges with eighteen equivalent Ni(1)Ni7Mo5 cuboctahedra, faces with seven equivalent Mo(1)Ni10Mo2 cuboctahedra, and faces with eleven equivalent Ni(1)Ni7Mo5 cuboctahedra. There are a spread of Ni(1)-Ni(1) bond distances ranging from 2.55-2.60 Å.