Mn3(FeN)8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. In the second Fe site, Fe(2) is bonded to one N(4) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing FeN4 trigonal pyramids. In the third Fe site, Fe(3) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. In the fourth Fe site, Fe(4) is bonded in a T-shaped geometry to one N(1) and two equivalent N(3) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(2), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms to form a mixture of distorted edge and corner-sharing NMnFe4 trigonal bipyramids. In the second N site, N(2) is bonded to one Mn(2), one Fe(1), and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing NMnFe4 trigonal bipyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Fe(4) atoms. In the fourth N site, N(4) is bonded to one Mn(1), one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NMnFe4 square pyramids.
Mn3(FeN)8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to two equivalent N(3) and two equivalent N(4) atoms. Both Mn(1)-N(3) bond lengths are 1.98 Å. Both Mn(1)-N(4) bond lengths are 1.92 Å. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. The Mn(2)-N(1) bond length is 1.81 Å. The Mn(2)-N(2) bond length is 1.80 Å. The Mn(2)-N(3) bond length is 1.75 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a see-saw-like geometry to one N(1), one N(2), and two equivalent N(4) atoms. The Fe(1)-N(1) bond length is 1.93 Å. The Fe(1)-N(2) bond length is 2.00 Å. Both Fe(1)-N(4) bond lengths are 1.87 Å. In the second Fe site, Fe(2) is bonded to one N(4) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing FeN4 trigonal pyramids. The Fe(2)-N(4) bond length is 1.87 Å. There are two shorter (1.89 Å) and one longer (2.06 Å) Fe(2)-N(2) bond length. In the third Fe site, Fe(3) is bonded in a distorted T-shaped geometry to one N(4) and two equivalent N(1) atoms. The Fe(3)-N(4) bond length is 2.01 Å. Both Fe(3)-N(1) bond lengths are 1.99 Å. In the fourth Fe site, Fe(4) is bonded in a T-shaped geometry to one N(1) and two equivalent N(3) atoms. The Fe(4)-N(1) bond length is 1.87 Å. Both Fe(4)-N(3) bond lengths are 1.86 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mn(2), one Fe(1), one Fe(4), and two equivalent Fe(3) atoms to form a mixture of distorted edge and corner-sharing NMnFe4 trigonal bipyramids. In the second N site, N(2) is bonded to one Mn(2), one Fe(1), and three equivalent Fe(2) atoms to form a mixture of distorted edge and corner-sharing NMnFe4 trigonal bipyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Fe(4) atoms. In the fourth N site, N(4) is bonded to one Mn(1), one Fe(2), one Fe(3), and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NMnFe4 square pyramids.