Materials Data on Ni3SnN by Materials Project

Abstract

SnNNi3 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 Sn and two equivalent N atoms. All Ni–Sn bond lengths are 2.76 Å. Both Ni–N bond lengths are 1.95 Å. Sn is bonded to twelve equivalent Ni atoms to form SnNi12 cuboctahedra that share corners with twelve equivalent SnNi12 cuboctahedra, faces with six equivalent SnNi12 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 SnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.