PbMn8O16 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(15), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the third Mn site, Mn(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(13), one O(14), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), one Mn(6), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(7), one Mn(8), and one Pb(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom.
PbMn8O16 is zeta iron carbide-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(16) bond length is 1.96 Å. The Mn(1)-O(2) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 1.87 Å. The Mn(1)-O(7) bond length is 1.89 Å. The Mn(1)-O(8) bond length is 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(15), one O(2), one O(3), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(15) bond length is 1.95 Å. The Mn(2)-O(2) bond length is 1.93 Å. The Mn(2)-O(3) bond length is 1.89 Å. The Mn(2)-O(7) bond length is 1.88 Å. The Mn(2)-O(8) bond length is 1.89 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(3)-O(11) bond length is 1.93 Å. The Mn(3)-O(3) bond length is 1.88 Å. The Mn(3)-O(4) bond length is 1.88 Å. The Mn(3)-O(5) bond length is 1.93 Å. The Mn(3)-O(6) bond length is 1.93 Å. The Mn(3)-O(9) bond length is 1.90 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(4)-O(10) bond length is 1.87 Å. The Mn(4)-O(12) bond length is 1.94 Å. The Mn(4)-O(3) bond length is 1.90 Å. The Mn(4)-O(4) bond length is 1.90 Å. The Mn(4)-O(5) bond length is 1.96 Å. The Mn(4)-O(6) bond length is 1.97 Å. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(5)-O(11) bond length is 1.99 Å. The Mn(5)-O(12) bond length is 1.94 Å. The Mn(5)-O(13) bond length is 1.90 Å. The Mn(5)-O(14) bond length is 1.90 Å. The Mn(5)-O(6) bond length is 1.95 Å. The Mn(5)-O(7) bond length is 1.87 Å. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(13), one O(14), one O(5), and one O(8) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(6)-O(11) bond length is 1.95 Å. The Mn(6)-O(12) bond length is 1.92 Å. The Mn(6)-O(13) bond length is 1.89 Å. The Mn(6)-O(14) bond length is 1.87 Å. The Mn(6)-O(5) bond length is 1.93 Å. The Mn(6)-O(8) bond length is 1.90 Å. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(15), one O(16), one O(2), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(7)-O(10) bond length is 1.90 Å. The Mn(7)-O(14) bond length is 1.87 Å. The Mn(7)-O(15) bond length is 1.98 Å. The Mn(7)-O(16) bond length is 1.93 Å. The Mn(7)-O(2) bond length is 1.98 Å. The Mn(7)-O(9) bond length is 1.90 Å. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(10), one O(13), one O(15), one O(16), and one O(9) atom to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(8)-O(1) bond length is 1.93 Å. The Mn(8)-O(10) bond length is 1.87 Å. The Mn(8)-O(13) bond length is 1.90 Å. The Mn(8)-O(15) bond length is 1.94 Å. The Mn(8)-O(16) bond length is 1.92 Å. The Mn(8)-O(9) bond length is 1.89 Å. Pb(1) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), and one O(6) atom. The Pb(1)-O(11) bond length is 2.73 Å. The Pb(1)-O(15) bond length is 2.72 Å. The Pb(1)-O(2) bond length is 2.73 Å. The Pb(1)-O(6) bond length is 2.73 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Mn(7), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), one Mn(5), and one Pb(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), one Mn(6), and one Pb(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Mn(5), one Mn(6), and one Mn(7) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(7), one Mn(8), and one Pb(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom.