LaMnO3 is Orthorhombic Perovskite 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(1), one O(4), one O(6), two equivalent O(2), 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(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(1), and one Mn(4) atom.
LaMnO3 is Orthorhombic Perovskite 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(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The La(1)-O(1) bond length is 2.86 Å. The La(1)-O(4) bond length is 2.39 Å. The La(1)-O(6) bond length is 2.89 Å. There is one shorter (2.38 Å) and one longer (2.84 Å) La(1)-O(2) bond length. There is one shorter (2.77 Å) and one longer (2.83 Å) La(1)-O(3) bond length. There is one shorter (2.38 Å) and one longer (2.81 Å) La(1)-O(5) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. The La(2)-O(2) bond length is 2.81 Å. The La(2)-O(3) bond length is 2.43 Å. The La(2)-O(5) bond length is 2.88 Å. There is one shorter (2.40 Å) and one longer (2.75 Å) La(2)-O(1) bond length. There is one shorter (2.76 Å) and one longer (2.85 Å) La(2)-O(4) bond length. There is one shorter (2.40 Å) and one longer (2.75 Å) La(2)-O(6) bond length. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Both Mn(1)-O(2) bond lengths are 1.93 Å. Both Mn(1)-O(4) bond lengths are 1.94 Å. Both Mn(1)-O(6) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. Both Mn(2)-O(1) bond lengths are 1.95 Å. Both Mn(2)-O(4) bond lengths are 2.15 Å. Both Mn(2)-O(5) bond lengths are 1.96 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. Both Mn(3)-O(1) bond lengths are 2.11 Å. Both Mn(3)-O(3) bond lengths are 1.96 Å. Both Mn(3)-O(5) bond lengths are 2.10 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 21-26°. Both Mn(4)-O(2) bond lengths are 2.13 Å. Both Mn(4)-O(3) bond lengths are 2.10 Å. Both Mn(4)-O(6) bond lengths are 2.13 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), two equivalent La(2), one Mn(1), and one Mn(4) atom.