Ba2FeN2 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. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Ba(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing NBa5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-3°.
Ba2FeN2 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 are four shorter (2.93 Å) and one longer (2.94 Å) Ba(1)-N(1) bond length. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Fe(1)-N(1) bond lengths are 1.70 Å. N(1) is bonded to five equivalent Ba(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing NBa5Fe octahedra. The corner-sharing octahedral tilt angles range from 0-3°.