Ba2NiN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing NBa5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-5°.
Ba2NiN2 crystallizes in the tetragonal I4/mmm space group. Ba(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing BaN5 square pyramids. There is one shorter (2.79 Å) and four longer (2.92 Å) Ba(1)-N(1) bond lengths. Ni(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Ni(1)-N(1) bond lengths are 1.75 Å. N(1) is bonded to five equivalent Ba(1) and one Ni(1) atom to form a mixture of distorted corner and edge-sharing NBa5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-5°.