La2FeNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 6-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Fe(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Ni(1) atom.
La2FeNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 6-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.41 Å) and one longer (2.59 Å) La(1)-O(1) bond length. There are a spread of La(1)-O(2) bond distances ranging from 2.46-2.83 Å. There are a spread of La(1)-O(3) bond distances ranging from 2.46-2.84 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Both Fe(1)-O(1) bond lengths are 1.99 Å. Both Fe(1)-O(2) bond lengths are 1.98 Å. Both Fe(1)-O(3) bond lengths are 1.98 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-25°. Both Ni(1)-O(1) bond lengths are 2.04 Å. Both Ni(1)-O(2) bond lengths are 2.03 Å. Both Ni(1)-O(3) bond lengths are 2.03 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Fe(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Fe(1), and one Ni(1) atom.