Pb2YBa2Cu3O8 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms.
Pb2YBa2Cu3O8 crystallizes in the monoclinic P2/m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. The Ba(1)-O(2) bond length is 2.83 Å. There is one shorter (2.98 Å) and one longer (2.99 Å) Ba(1)-O(3) bond length. Both Ba(1)-O(4) bond lengths are 2.96 Å. There are two shorter (2.81 Å) and two longer (2.82 Å) Ba(1)-O(1) bond lengths. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(3) and four equivalent O(4) atoms. There are two shorter (2.42 Å) and two longer (2.45 Å) Y(1)-O(3) bond lengths. All Y(1)-O(4) bond lengths are 2.42 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. The Cu(1)-O(1) bond length is 2.65 Å. Both Cu(1)-O(3) bond lengths are 1.95 Å. Both Cu(1)-O(4) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(2) atoms. Both Cu(2)-O(2) bond lengths are 1.86 Å. Pb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. The Pb(1)-O(1) bond length is 2.21 Å. Both Pb(1)-O(2) bond lengths are 2.45 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Pb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Cu(2), and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms.