Cr3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a linear geometry to two equivalent N(1) atoms. In the second Cr site, Cr(2) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing CrN5 square pyramids. N(1) is bonded to one Cr(1) and five equivalent Cr(2) atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°.
Cr3N2 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cr(1)-N(1) bond lengths are 1.94 Å. In the second Cr site, Cr(2) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing CrN5 square pyramids. There are four shorter (2.03 Å) and one longer (2.06 Å) Cr(2)-N(1) bond length. N(1) is bonded to one Cr(1) and five equivalent Cr(2) atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°.