Fe2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted corner-sharing FeN4 tetrahedra. Ir(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Fe(1) and one Ir(1) atom to form NFe3Ir tetrahedra that share corners with seven equivalent N(1)Fe3Ir tetrahedra and corners with five equivalent N(2)Fe2Ir2 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ir(1) atoms to form NFe2Ir2 trigonal pyramids that share corners with ten equivalent N(1)Fe3Ir tetrahedra and corners with two equivalent N(2)Fe2Ir2 trigonal pyramids.
Fe2IrN3 crystallizes in the orthorhombic Cmc2_1 space group. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form distorted corner-sharing FeN4 tetrahedra. The Fe(1)-N(2) bond length is 1.86 Å. All Fe(1)-N(1) bond lengths are 1.85 Å. Ir(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Ir(1)-N(1) bond lengths are 2.05 Å. There is one shorter (1.99 Å) and one longer (2.03 Å) Ir(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Fe(1) and one Ir(1) atom to form NFe3Ir tetrahedra that share corners with seven equivalent N(1)Fe3Ir tetrahedra and corners with five equivalent N(2)Fe2Ir2 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Fe(1) and two equivalent Ir(1) atoms to form NFe2Ir2 trigonal pyramids that share corners with ten equivalent N(1)Fe3Ir tetrahedra and corners with two equivalent N(2)Fe2Ir2 trigonal pyramids.