DOE OSTI2020
NiMn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn is bonded to six equivalent Mn and six equivalent Ni atoms to form distorted MnMn6Ni6 cuboctahedra that share corners with twelve equivalent MnMn6Ni6 cuboctahedra, edges with twelve equivalent MnMn6Ni6 cuboctahedra, edges with twelve equivalent NiMn6Ni6 cuboctahedra, faces with six equivalent MnMn6Ni6 cuboctahedra, and faces with twelve equivalent NiMn6Ni6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.50 Å) Mn–Mn bond lengths. There are four shorter (2.50 Å) and two longer (2.51 Å) Mn–Ni bond lengths. Ni is bonded to six equivalent Mn and six equivalent Ni atoms to form distorted NiMn6Ni6 cuboctahedra that share corners with twelve equivalent NiMn6Ni6 cuboctahedra, edges with twelve equivalent MnMn6Ni6 cuboctahedra, edges with twelve equivalent NiMn6Ni6 cuboctahedra, faces with six equivalent NiMn6Ni6 cuboctahedra, and faces with twelve equivalent MnMn6Ni6 cuboctahedra. There are four shorter (2.46 Å) and two longer (2.50 Å) Ni–Ni bond lengths.