LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom.
LaCoO3 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(12), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(9) atom. The La(1)-O(1) bond length is 2.80 Å. The La(1)-O(10) bond length is 2.74 Å. The La(1)-O(12) bond length is 2.44 Å. The La(1)-O(2) bond length is 2.75 Å. The La(1)-O(3) bond length is 2.43 Å. The La(1)-O(5) bond length is 2.73 Å. The La(1)-O(6) bond length is 2.78 Å. The La(1)-O(7) bond length is 2.42 Å. The La(1)-O(9) bond length is 2.76 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The La(2)-O(1) bond length is 2.77 Å. The La(2)-O(10) bond length is 2.76 Å. The La(2)-O(11) bond length is 2.42 Å. The La(2)-O(2) bond length is 2.70 Å. The La(2)-O(4) bond length is 2.42 Å. The La(2)-O(5) bond length is 2.82 Å. The La(2)-O(6) bond length is 2.76 Å. The La(2)-O(8) bond length is 2.44 Å. The La(2)-O(9) bond length is 2.76 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. The La(3)-O(1) bond length is 2.45 Å. The La(3)-O(10) bond length is 2.39 Å. The La(3)-O(11) bond length is 2.71 Å. The La(3)-O(12) bond length is 2.75 Å. The La(3)-O(3) bond length is 2.77 Å. The La(3)-O(4) bond length is 2.85 Å. The La(3)-O(5) bond length is 2.40 Å. The La(3)-O(7) bond length is 2.74 Å. The La(3)-O(8) bond length is 2.78 Å. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. The La(4)-O(11) bond length is 2.78 Å. The La(4)-O(12) bond length is 2.77 Å. The La(4)-O(2) bond length is 2.41 Å. The La(4)-O(3) bond length is 2.75 Å. The La(4)-O(4) bond length is 2.65 Å. The La(4)-O(6) bond length is 2.40 Å. The La(4)-O(7) bond length is 2.82 Å. The La(4)-O(8) bond length is 2.74 Å. The La(4)-O(9) bond length is 2.42 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. The Co(1)-O(12) bond length is 1.92 Å. The Co(1)-O(2) bond length is 1.90 Å. The Co(1)-O(3) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.99 Å. The Co(1)-O(7) bond length is 1.95 Å. The Co(1)-O(9) bond length is 1.98 Å. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. The Co(2)-O(1) bond length is 2.04 Å. The Co(2)-O(10) bond length is 1.98 Å. The Co(2)-O(12) bond length is 2.02 Å. The Co(2)-O(3) bond length is 2.07 Å. The Co(2)-O(5) bond length is 1.98 Å. The Co(2)-O(7) bond length is 2.03 Å. In the third Co site, Co(3) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. The Co(3)-O(1) bond length is 1.90 Å. The Co(3)-O(10) bond length is 1.99 Å. The Co(3)-O(11) bond length is 2.06 Å. The Co(3)-O(4) bond length is 1.92 Å. The Co(3)-O(5) bond length is 2.00 Å. The Co(3)-O(8) bond length is 2.07 Å. In the fourth Co site, Co(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 20-23°. The Co(4)-O(11) bond length is 1.94 Å. The Co(4)-O(2) bond length is 2.11 Å. The Co(4)-O(4) bond length is 2.09 Å. The Co(4)-O(6) bond length is 1.97 Å. The Co(4)-O(8) bond length is 1.91 Å. The Co(4)-O(9) bond length is 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(4), one Co(1), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(4), one Co(3), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one Co(1), and one Co(2) atom.