Materials Data on Mn3NiN by Materials Project

Abstract

Mn3NiN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ni and two equivalent N atoms. All Mn–Ni bond lengths are 2.71 Å. Both Mn–N bond lengths are 1.92 Å. Ni is bonded to twelve equivalent Mn atoms to form NiMn12 cuboctahedra that share corners with twelve equivalent NiMn12 cuboctahedra, faces with six equivalent NiMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent NiMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.