Fe2Ni3N4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Ni(2), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Ni(1), and two equivalent Ni(2) atoms.
Fe2Ni3N4 crystallizes in the monoclinic C2/c space group. Fe(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of corner and edge-sharing FeN4 tetrahedra. There is one shorter (1.85 Å) and one longer (1.87 Å) Fe(1)-N(1) bond length. There is one shorter (1.84 Å) and one longer (1.87 Å) Fe(1)-N(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (1.95 Å) and one longer (2.02 Å) Ni(1)-N(1) bond length. There is one shorter (1.97 Å) and one longer (2.10 Å) Ni(1)-N(2) bond length. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Both Ni(2)-N(1) bond lengths are 2.00 Å. There are two shorter (2.03 Å) and two longer (2.53 Å) Ni(2)-N(2) bond lengths. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Fe(1), one Ni(2), and two equivalent Ni(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Ni(1), and two equivalent Ni(2) atoms.