Pr3Mn4PbO12 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(3), and two equivalent O(4) 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(1), two equivalent O(2), 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(2), and two equivalent O(3) 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 17-27°. 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 17-27°. Pb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(4) atoms. 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(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Mn(1), one Mn(2), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(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), two equivalent Mn(1), and one Pb(1) atom. 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.
Pr3Mn4PbO12 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(3), and two equivalent O(4) atoms. The Pr(1)-O(5) bond length is 2.42 Å. The Pr(1)-O(6) bond length is 2.47 Å. Both Pr(1)-O(1) bond lengths are 2.85 Å. Both Pr(1)-O(3) bond lengths are 2.45 Å. Both Pr(1)-O(4) bond lengths are 2.63 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(1), two equivalent O(2), and two equivalent O(4) atoms. The Pr(2)-O(7) bond length is 2.53 Å. The Pr(2)-O(8) bond length is 2.43 Å. Both Pr(2)-O(1) bond lengths are 2.59 Å. Both Pr(2)-O(2) bond lengths are 2.45 Å. Both Pr(2)-O(4) bond lengths are 2.75 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(2), and two equivalent O(3) atoms. The Pr(3)-O(7) bond length is 2.42 Å. The Pr(3)-O(8) bond length is 2.55 Å. Both Pr(3)-O(1) bond lengths are 2.48 Å. Both Pr(3)-O(2) bond lengths are 2.58 Å. Both Pr(3)-O(3) bond lengths are 2.68 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 17-27°. The Mn(1)-O(1) bond length is 2.03 Å. The Mn(1)-O(2) bond length is 2.00 Å. The Mn(1)-O(3) bond length is 2.00 Å. The Mn(1)-O(4) bond length is 1.99 Å. The Mn(1)-O(6) bond length is 2.01 Å. The Mn(1)-O(8) bond length is 2.02 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 17-27°. The Mn(2)-O(1) bond length is 2.01 Å. The Mn(2)-O(2) bond length is 2.05 Å. The Mn(2)-O(3) bond length is 1.99 Å. The Mn(2)-O(4) bond length is 2.06 Å. The Mn(2)-O(5) bond length is 2.01 Å. The Mn(2)-O(7) bond length is 2.02 Å. Pb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(4) atoms. The Pb(1)-O(6) bond length is 2.50 Å. Both Pb(1)-O(4) bond lengths are 2.51 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(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Pr(2), one Pr(3), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Pr(1), one Pr(3), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Pr(1), one Pr(2), one Mn(1), one Mn(2), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(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), two equivalent Mn(1), and one Pb(1) atom. 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.