La5Fe4NiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. In the third La site, La(3) is bonded in a 5-coordinate geometry to one O(8) and four equivalent O(3) atoms. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent O(5) atoms. In the fifth La site, La(5) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the fifth Fe site, Fe(5) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Ni(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(3), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(4), one Fe(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one Fe(4), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(5), one Fe(1), and one Fe(4) atom.
La5Fe4NiO15 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(1), and two equivalent O(2) atoms. The La(1)-O(7) bond length is 2.33 Å. Both La(1)-O(1) bond lengths are 2.51 Å. Both La(1)-O(2) bond lengths are 2.56 Å. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(9), two equivalent O(1), and two equivalent O(2) atoms. The La(2)-O(9) bond length is 2.38 Å. Both La(2)-O(1) bond lengths are 2.48 Å. Both La(2)-O(2) bond lengths are 2.50 Å. In the third La site, La(3) is bonded in a 5-coordinate geometry to one O(8) and four equivalent O(3) atoms. The La(3)-O(8) bond length is 2.36 Å. All La(3)-O(3) bond lengths are 2.50 Å. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent O(5) atoms. The La(4)-O(6) bond length is 2.38 Å. Both La(4)-O(4) bond lengths are 2.52 Å. Both La(4)-O(5) bond lengths are 2.54 Å. In the fifth La site, La(5) is bonded in a 5-coordinate geometry to one O(10), two equivalent O(4), and two equivalent O(5) atoms. The La(5)-O(10) bond length is 2.41 Å. Both La(5)-O(4) bond lengths are 2.48 Å. Both La(5)-O(5) bond lengths are 2.51 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. The Fe(1)-O(10) bond length is 2.03 Å. The Fe(1)-O(8) bond length is 2.06 Å. Both Fe(1)-O(1) bond lengths are 2.01 Å. Both Fe(1)-O(2) bond lengths are 2.02 Å. In the second Fe site, Fe(2) is bonded to two equivalent O(9) and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 23-29°. Both Fe(2)-O(9) bond lengths are 2.05 Å. All Fe(2)-O(3) bond lengths are 2.02 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(6) and four equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. Both Fe(3)-O(6) bond lengths are 2.00 Å. All Fe(3)-O(4) bond lengths are 1.99 Å. In the fourth Fe site, Fe(4) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. The Fe(4)-O(10) bond length is 2.07 Å. The Fe(4)-O(7) bond length is 2.00 Å. Both Fe(4)-O(1) bond lengths are 2.03 Å. Both Fe(4)-O(5) bond lengths are 1.98 Å. In the fifth Fe site, Fe(5) is bonded to one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. The Fe(5)-O(8) bond length is 2.05 Å. The Fe(5)-O(9) bond length is 2.06 Å. Both Fe(5)-O(2) bond lengths are 2.01 Å. Both Fe(5)-O(3) bond lengths are 2.03 Å. Ni(1) is bonded to one O(6), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with three equivalent Fe(3)O6 octahedra and corners with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. The Ni(1)-O(6) bond length is 2.08 Å. The Ni(1)-O(7) bond length is 2.08 Å. Both Ni(1)-O(4) bond lengths are 2.03 Å. Both Ni(1)-O(5) bond lengths are 2.03 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(1), one La(2), one Fe(1), and one Fe(5) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent La(3), one Fe(2), and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(3), and one Ni(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(4), one La(5), one Fe(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(4), one Fe(3), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one Fe(4), and one Ni(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(3), one Fe(1), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(2), one Fe(2), and one Fe(5) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one La(5), one Fe(1), and one Fe(4) atom.