Ni3SbN is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. In the second Ni site, Ni(2) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. Sb(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(1) atoms to form SbNi12 cuboctahedra that share corners with twelve equivalent Sb(1)Ni12 cuboctahedra, faces with six equivalent Sb(1)Ni12 cuboctahedra, and faces with eight equivalent N(1)Ni6 octahedra. N(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form NNi6 octahedra that share corners with six equivalent N(1)Ni6 octahedra and faces with eight equivalent Sb(1)Ni12 cuboctahedra. The corner-sharing octahedra are not tilted.
Ni3SbN is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. All Ni(1)-Sb(1) bond lengths are 2.78 Å. Both Ni(1)-N(1) bond lengths are 1.97 Å. In the second Ni site, Ni(2) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. All Ni(2)-Sb(1) bond lengths are 2.78 Å. Both Ni(2)-N(1) bond lengths are 1.96 Å. Sb(1) is bonded to four equivalent Ni(2) and eight equivalent Ni(1) atoms to form SbNi12 cuboctahedra that share corners with twelve equivalent Sb(1)Ni12 cuboctahedra, faces with six equivalent Sb(1)Ni12 cuboctahedra, and faces with eight equivalent N(1)Ni6 octahedra. N(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form NNi6 octahedra that share corners with six equivalent N(1)Ni6 octahedra and faces with eight equivalent Sb(1)Ni12 cuboctahedra. The corner-sharing octahedra are not tilted.