Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mn(1) is bonded in a linear geometry to four equivalent Ni(1) and two equivalent N(1) atoms. Ni(1) is bonded to twelve equivalent Mn(1) atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent Ni(1)Mn12 cuboctahedra, faces with six equivalent Ni(1)Mn12 cuboctahedra, and faces with eight equivalent N(1)Mn6 octahedra. N(1) is bonded to six equivalent Mn(1) atoms to form NMn6 octahedra that share corners with six equivalent N(1)Mn6 octahedra and faces with eight equivalent Ni(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted.
Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Mn(1) is bonded in a linear geometry to four equivalent Ni(1) and two equivalent N(1) atoms. All Mn(1)-Ni(1) bond lengths are 2.71 Å. Both Mn(1)-N(1) bond lengths are 1.92 Å. Ni(1) is bonded to twelve equivalent Mn(1) atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent Ni(1)Mn12 cuboctahedra, faces with six equivalent Ni(1)Mn12 cuboctahedra, and faces with eight equivalent N(1)Mn6 octahedra. N(1) is bonded to six equivalent Mn(1) atoms to form NMn6 octahedra that share corners with six equivalent N(1)Mn6 octahedra and faces with eight equivalent Ni(1)Mn12 cuboctahedra. The corner-sharing octahedra are not tilted.