Mn2FeN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing MnN5 square pyramids. Fe(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to five equivalent Mn(1) and one Fe(1) atom to form a mixture of edge and corner-sharing NMn5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-7°.
Mn2FeN2 crystallizes in the orthorhombic Pmmn space group. Mn(1) is bonded to five equivalent N(1) atoms to form a mixture of edge and corner-sharing MnN5 square pyramids. There are four shorter (2.02 Å) and one longer (2.12 Å) Mn(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 1.86 Å. N(1) is bonded to five equivalent Mn(1) and one Fe(1) atom to form a mixture of edge and corner-sharing NMn5Fe octahedra. The corner-sharing octahedral tilt angles range from 1-7°.