Pr3LaMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), one La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Pr(2), one Pr(3), one La(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(1) atoms.
Pr3LaMn4O12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Pr(1)-O(5) bond length is 2.39 Å. The Pr(1)-O(6) bond length is 2.50 Å. Both Pr(1)-O(1) bond lengths are 2.43 Å. Both Pr(1)-O(2) bond lengths are 2.61 Å. Both Pr(1)-O(3) bond lengths are 2.84 Å. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Pr(2)-O(7) bond length is 2.50 Å. The Pr(2)-O(8) bond length is 2.39 Å. Both Pr(2)-O(2) bond lengths are 2.83 Å. Both Pr(2)-O(3) bond lengths are 2.59 Å. Both Pr(2)-O(4) bond lengths are 2.44 Å. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Pr(3)-O(7) bond length is 2.39 Å. The Pr(3)-O(8) bond length is 2.50 Å. Both Pr(3)-O(1) bond lengths are 2.81 Å. Both Pr(3)-O(3) bond lengths are 2.44 Å. Both Pr(3)-O(4) bond lengths are 2.60 Å. La(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The La(1)-O(5) bond length is 2.54 Å. The La(1)-O(6) bond length is 2.40 Å. Both La(1)-O(1) bond lengths are 2.64 Å. Both La(1)-O(2) bond lengths are 2.44 Å. Both La(1)-O(4) bond lengths are 2.84 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. The Mn(1)-O(1) bond length is 2.07 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(3) bond length is 2.07 Å. The Mn(1)-O(4) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 2.04 Å. The Mn(1)-O(8) bond length is 2.04 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. The Mn(2)-O(1) bond length is 2.00 Å. The Mn(2)-O(2) bond length is 2.06 Å. The Mn(2)-O(3) bond length is 2.00 Å. The Mn(2)-O(4) bond length is 2.06 Å. The Mn(2)-O(5) bond length is 2.05 Å. The Mn(2)-O(7) bond length is 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), one La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one La(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Pr(2), one Pr(3), one La(1), one Mn(1), and one Mn(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Pr(1), one La(1), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), and two equivalent Mn(1) atoms.