Mn3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Mn(2) and five equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°.
Mn3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of corner and edge-sharing MnN5 square pyramids. There are four shorter (2.03 Å) and one longer (2.06 Å) Mn(1)-N(1) bond length. In the second Mn site, Mn(2) is bonded in a linear geometry to two equivalent N(1) atoms. Both Mn(2)-N(1) bond lengths are 1.93 Å. N(1) is bonded to one Mn(2) and five equivalent Mn(1) atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°.