Fe(CoN)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. N(1) is bonded to one Fe(1) and five equivalent Co(1) atoms to form a mixture of corner and edge-sharing NFeCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Fe(CoN)2 crystallizes in the tetragonal I4/mmm space group. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Fe(1)-N(1) bond lengths are 1.86 Å. Co(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing CoN5 square pyramids. There are four shorter (1.97 Å) and one longer (2.07 Å) Co(1)-N(1) bond length. N(1) is bonded to one Fe(1) and five equivalent Co(1) atoms to form a mixture of corner and edge-sharing NFeCo5 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.