PbBaSrYCu3O7 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(1) atoms. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(7) atom. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(1), two equivalent O(5), and two equivalent O(6) atoms. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(3), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuPb octahedra. The corner-sharing octahedral tilt angles are 23°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Cu(2), and two equivalent Pb(1) atoms.
PbBaSrYCu3O7 crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(1) atoms. The Ba(1)-O(7) bond length is 2.71 Å. Both Ba(1)-O(5) bond lengths are 2.97 Å. There is one shorter (2.98 Å) and one longer (2.99 Å) Ba(1)-O(6) bond length. There are two shorter (2.77 Å) and two longer (2.80 Å) Ba(1)-O(1) bond lengths. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. There is one shorter (2.79 Å) and one longer (2.85 Å) Sr(1)-O(3) bond length. Both Sr(1)-O(4) bond lengths are 2.81 Å. There are two shorter (2.71 Å) and two longer (2.84 Å) Sr(1)-O(2) bond lengths. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.43 Å) and one longer (2.44 Å) Y(1)-O(3) bond length. Both Y(1)-O(4) bond lengths are 2.43 Å. Both Y(1)-O(5) bond lengths are 2.40 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Y(1)-O(6) bond length. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(2) bond length is 2.36 Å. Both Cu(1)-O(3) bond lengths are 1.94 Å. Both Cu(1)-O(4) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(2) and one O(7) atom. The Cu(2)-O(2) bond length is 1.81 Å. The Cu(2)-O(7) bond length is 1.86 Å. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(1), two equivalent O(5), and two equivalent O(6) atoms. The Cu(3)-O(1) bond length is 2.62 Å. Both Cu(3)-O(5) bond lengths are 1.94 Å. Both Cu(3)-O(6) bond lengths are 1.94 Å. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(7) atoms. The Pb(1)-O(1) bond length is 2.22 Å. Both Pb(1)-O(7) bond lengths are 2.47 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(3), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OBa4CuPb octahedra. The corner-sharing octahedral tilt angles are 23°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Y(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 12°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Cu(2), and two equivalent Pb(1) atoms.