Materials Data on Mn3N2 by Materials Project
Mn3N2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to five equivalent N3- 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–N bond lengths. In the second Mn2+ site, Mn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Mn–N bond lengths are 1.93 Å. N3- is bonded to six Mn2+ atoms to form a mixture of corner and edge-sharing NMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.