La4Ni3O10 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(3), two equivalent O(5), and five equivalent O(4) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ni(1), and one Ni(2) atom. In the second O site, O(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Ni(2) atoms to form distorted face-sharing OLa4Ni2 octahedra. In the third O site, O(4) is bonded in a 6-coordinate geometry to five equivalent La(2) and one Ni(2) atom. In the fourth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ni(2) atoms. In the fifth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Ni(1) atoms.
La4Ni3O10 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Cmce space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(5), four equivalent O(1), and four equivalent O(2) atoms. Both La(1)-O(3) bond lengths are 2.67 Å. Both La(1)-O(5) bond lengths are 2.94 Å. There are two shorter (2.54 Å) and two longer (2.89 Å) La(1)-O(1) bond lengths. There are a spread of La(1)-O(2) bond distances ranging from 2.44-3.10 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to two equivalent O(3), two equivalent O(5), and five equivalent O(4) atoms. Both La(2)-O(3) bond lengths are 2.64 Å. Both La(2)-O(5) bond lengths are 2.46 Å. There are a spread of La(2)-O(4) bond distances ranging from 2.37-3.09 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-19°. Both Ni(1)-O(2) bond lengths are 1.95 Å. All Ni(1)-O(1) bond lengths are 1.96 Å. In the second Ni site, Ni(2) is bonded to one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 11-19°. The Ni(2)-O(2) bond length is 2.01 Å. The Ni(2)-O(4) bond length is 2.17 Å. Both Ni(2)-O(3) bond lengths are 1.96 Å. Both Ni(2)-O(5) bond lengths are 1.95 Å. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 5-coordinate geometry to four equivalent La(1), one Ni(1), and one Ni(2) atom. In the second O site, O(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Ni(2) atoms to form distorted face-sharing OLa4Ni2 octahedra. In the third O site, O(4) is bonded in a 6-coordinate geometry to five equivalent La(2) and one Ni(2) atom. In the fourth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ni(2) atoms. In the fifth O site, O(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Ni(1) atoms.