Ba2YCu3PbO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(6) and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. Pb(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Cu(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(2), one Cu(1), and two equivalent Pb(1) atoms.
Ba2YCu3PbO7 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. Both Ba(1)-O(1) bond lengths are 2.96 Å. There is one shorter (2.95 Å) and one longer (2.99 Å) Ba(1)-O(2) bond length. There are two shorter (2.77 Å) and two longer (2.84 Å) Ba(1)-O(6) bond lengths. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. The Ba(2)-O(7) bond length is 2.73 Å. Both Ba(2)-O(3) bond lengths are 2.99 Å. There is one shorter (3.00 Å) and one longer (3.01 Å) Ba(2)-O(4) bond length. There are two shorter (2.81 Å) and two longer (2.82 Å) Ba(2)-O(5) bond lengths. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Y(1)-O(1) bond lengths are 2.43 Å. There is one shorter (2.42 Å) and one longer (2.45 Å) Y(1)-O(2) bond length. Both Y(1)-O(3) bond lengths are 2.42 Å. There is one shorter (2.41 Å) and one longer (2.44 Å) Y(1)-O(4) bond length. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(6) and one O(7) atom. The Cu(1)-O(6) bond length is 1.81 Å. The Cu(1)-O(7) bond length is 1.86 Å. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(2)-O(6) bond length is 2.59 Å. Both Cu(2)-O(1) bond lengths are 1.96 Å. Both Cu(2)-O(2) bond lengths are 1.95 Å. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(5), two equivalent O(3), and two equivalent O(4) atoms. The Cu(3)-O(5) bond length is 2.66 Å. Both Cu(3)-O(3) bond lengths are 1.96 Å. Both Cu(3)-O(4) bond lengths are 1.95 Å. Pb(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(7) atoms. The Pb(1)-O(5) bond length is 2.21 Å. Both Pb(1)-O(7) bond lengths are 2.46 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(2), one Cu(3), and one Pb(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(2), one Cu(1), and two equivalent Pb(1) atoms.