BaLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(4) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 11-23°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(3), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(3), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(1), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(2), and one Mn(3) atom.
BaLa3Mn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(2), and two equivalent O(3) atoms. The Ba(1)-O(10) bond length is 2.92 Å. The Ba(1)-O(11) bond length is 2.86 Å. The Ba(1)-O(12) bond length is 2.95 Å. The Ba(1)-O(5) bond length is 3.15 Å. The Ba(1)-O(6) bond length is 3.20 Å. The Ba(1)-O(7) bond length is 2.63 Å. The Ba(1)-O(8) bond length is 2.65 Å. The Ba(1)-O(9) bond length is 2.90 Å. There is one shorter (2.65 Å) and one longer (3.01 Å) Ba(1)-O(2) bond length. There is one shorter (2.81 Å) and one longer (2.84 Å) Ba(1)-O(3) bond length. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(4) atoms. The La(1)-O(10) bond length is 2.73 Å. The La(1)-O(11) bond length is 2.75 Å. The La(1)-O(12) bond length is 2.68 Å. The La(1)-O(5) bond length is 2.48 Å. The La(1)-O(6) bond length is 2.47 Å. The La(1)-O(7) bond length is 3.03 Å. The La(1)-O(8) bond length is 2.93 Å. The La(1)-O(9) bond length is 2.76 Å. There is one shorter (2.43 Å) and one longer (3.23 Å) La(1)-O(1) bond length. There is one shorter (2.78 Å) and one longer (2.86 Å) La(1)-O(4) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(10), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. The La(2)-O(10) bond length is 2.43 Å. The La(2)-O(4) bond length is 2.46 Å. The La(2)-O(5) bond length is 2.82 Å. The La(2)-O(6) bond length is 2.74 Å. The La(2)-O(7) bond length is 2.76 Å. The La(2)-O(8) bond length is 2.76 Å. The La(2)-O(9) bond length is 2.43 Å. There is one shorter (2.81 Å) and one longer (2.83 Å) La(2)-O(1) bond length. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. The La(3)-O(11) bond length is 2.43 Å. The La(3)-O(12) bond length is 2.47 Å. The La(3)-O(3) bond length is 2.42 Å. The La(3)-O(5) bond length is 2.85 Å. The La(3)-O(6) bond length is 2.88 Å. The La(3)-O(7) bond length is 2.80 Å. The La(3)-O(8) bond length is 2.85 Å. There is one shorter (2.80 Å) and one longer (2.81 Å) La(3)-O(2) bond length. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 12-24°. The Mn(1)-O(1) bond length is 1.91 Å. The Mn(1)-O(10) bond length is 1.96 Å. The Mn(1)-O(11) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 1.96 Å. The Mn(1)-O(6) bond length is 1.93 Å. The Mn(1)-O(7) bond length is 1.91 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. The Mn(2)-O(12) bond length is 1.91 Å. The Mn(2)-O(2) bond length is 2.07 Å. The Mn(2)-O(4) bond length is 2.09 Å. The Mn(2)-O(5) bond length is 1.91 Å. The Mn(2)-O(8) bond length is 2.12 Å. The Mn(2)-O(9) bond length is 2.13 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-24°. The Mn(3)-O(1) bond length is 2.06 Å. The Mn(3)-O(12) bond length is 2.13 Å. The Mn(3)-O(3) bond length is 2.12 Å. The Mn(3)-O(5) bond length is 2.11 Å. The Mn(3)-O(8) bond length is 1.89 Å. The Mn(3)-O(9) bond length is 1.92 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 11-23°. The Mn(4)-O(10) bond length is 2.11 Å. The Mn(4)-O(11) bond length is 2.11 Å. The Mn(4)-O(2) bond length is 1.91 Å. The Mn(4)-O(4) bond length is 1.91 Å. The Mn(4)-O(6) bond length is 2.13 Å. The Mn(4)-O(7) bond length is 2.06 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent La(3), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one La(3), one Mn(1), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(2), two equivalent La(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one La(1), one La(2), one La(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(2), one Mn(1), and one Mn(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ba(1), one La(1), one La(3), one Mn(2), and one Mn(3) atom.