LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(2), and one Co(3) atom.
LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(2), one O(4), one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. The La(1)-O(2) bond length is 2.36 Å. The La(1)-O(4) bond length is 2.76 Å. The La(1)-O(6) bond length is 2.79 Å. There is one shorter (2.72 Å) and one longer (2.78 Å) La(1)-O(1) bond length. There is one shorter (2.43 Å) and one longer (2.79 Å) La(1)-O(3) bond length. There is one shorter (2.44 Å) and one longer (2.86 Å) La(1)-O(5) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. The La(2)-O(1) bond length is 2.36 Å. The La(2)-O(3) bond length is 2.81 Å. The La(2)-O(5) bond length is 2.75 Å. There is one shorter (2.73 Å) and one longer (2.77 Å) La(2)-O(2) bond length. There is one shorter (2.45 Å) and one longer (2.83 Å) La(2)-O(4) bond length. There is one shorter (2.42 Å) and one longer (2.82 Å) La(2)-O(6) bond length. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Both Co(1)-O(2) bond lengths are 2.05 Å. Both Co(1)-O(4) bond lengths are 2.05 Å. Both Co(1)-O(5) bond lengths are 1.92 Å. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. Both Co(2)-O(2) bond lengths are 2.05 Å. Both Co(2)-O(3) bond lengths are 2.05 Å. Both Co(2)-O(6) bond lengths are 1.92 Å. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-24°. Both Co(3)-O(1) bond lengths are 2.05 Å. Both Co(3)-O(3) bond lengths are 1.92 Å. Both Co(3)-O(6) bond lengths are 2.05 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. Both Co(4)-O(1) bond lengths are 2.05 Å. Both Co(4)-O(4) bond lengths are 1.92 Å. Both Co(4)-O(5) bond lengths are 2.05 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(1), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Co(1), and one Co(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Co(2), and one Co(3) atom.