Materials Data on InNi3N by Materials Project

Abstract

InNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent In and two equivalent N atoms. All Ni–In bond lengths are 2.74 Å. Both Ni–N bond lengths are 1.94 Å. In is bonded to twelve equivalent Ni atoms to form InNi12 cuboctahedra that share corners with twelve equivalent InNi12 cuboctahedra, faces with six equivalent InNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent InNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.