Fe(ReN2)3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Re site, Re(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form ReN6 octahedra that share corners with six equivalent Fe(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Fe(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form FeN6 octahedra that share corners with six equivalent Re(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Re(2), two equivalent Re(1), and one Fe(1) atom to form distorted corner-sharing NFeRe3 trigonal pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Re(2), two equivalent Re(1), and one Fe(1) atom. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Re(2), two equivalent Re(1), and one Fe(1) atom.
Fe(ReN2)3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. There is one shorter (1.99 Å) and one longer (2.27 Å) Re(1)-N(1) bond length. There is one shorter (2.01 Å) and one longer (2.19 Å) Re(1)-N(2) bond length. There is one shorter (1.97 Å) and one longer (2.08 Å) Re(1)-N(3) bond length. In the second Re site, Re(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form ReN6 octahedra that share corners with six equivalent Fe(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Re(2)-N(1) bond lengths are 2.02 Å. Both Re(2)-N(2) bond lengths are 2.06 Å. Both Re(2)-N(3) bond lengths are 2.10 Å. Fe(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form FeN6 octahedra that share corners with six equivalent Re(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Both Fe(1)-N(1) bond lengths are 1.92 Å. Both Fe(1)-N(2) bond lengths are 1.89 Å. Both Fe(1)-N(3) bond lengths are 2.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Re(2), two equivalent Re(1), and one Fe(1) atom to form distorted corner-sharing NFeRe3 trigonal pyramids. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Re(2), two equivalent Re(1), and one Fe(1) atom. In the third N site, N(3) is bonded in a distorted see-saw-like geometry to one Re(2), two equivalent Re(1), and one Fe(1) atom.