Pb2Sr2DyCu3O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. Dy(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(2)O5 square pyramids. Pb(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Dy(1), and two equivalent Cu(2) atoms to form distorted OSr2Dy2Cu2 octahedra that share corners with two equivalent O(2)SrCuPb4 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Dy2Cu2 octahedra, edges with three equivalent O(1)Sr2Dy2Cu2 octahedra, faces with two equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Dy2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(2) is bonded to one Sr(1), one Cu(1), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share corners with four equivalent O(1)Sr2Dy2Cu2 octahedra, corners with five equivalent O(2)SrCuPb4 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and edges with four equivalent O(2)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Dy2Cu2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(2)SrCuPb4 octahedra, and faces with four equivalent O(1)Sr2Dy2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°.
Pb2Sr2DyCu3O8 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. The Sr(1)-O(2) bond length is 2.62 Å. All Sr(1)-O(1) bond lengths are 2.83 Å. All Sr(1)-O(3) bond lengths are 2.75 Å. Dy(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Dy(1)-O(1) bond lengths are 2.41 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. Both Cu(1)-O(2) bond lengths are 1.87 Å. In the second Cu site, Cu(2) is bonded to one O(3) and four equivalent O(1) atoms to form CuO5 square pyramids that share  a cornercorner with one Pb(1)O5 square pyramid and corners with four equivalent Cu(2)O5 square pyramids. The Cu(2)-O(3) bond length is 2.35 Å. All Cu(2)-O(1) bond lengths are 1.93 Å. Pb(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted PbO5 square pyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with four equivalent Pb(1)O5 square pyramids, and edges with four equivalent Pb(1)O5 square pyramids. The Pb(1)-O(3) bond length is 2.19 Å. All Pb(1)-O(2) bond lengths are 2.71 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Dy(1), and two equivalent Cu(2) atoms to form distorted OSr2Dy2Cu2 octahedra that share corners with two equivalent O(2)SrCuPb4 octahedra, corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Dy2Cu2 octahedra, edges with three equivalent O(1)Sr2Dy2Cu2 octahedra, faces with two equivalent O(3)Sr4CuPb octahedra, and faces with four equivalent O(1)Sr2Dy2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-69°. In the second O site, O(2) is bonded to one Sr(1), one Cu(1), and four equivalent Pb(1) atoms to form distorted OSrCuPb4 octahedra that share corners with four equivalent O(1)Sr2Dy2Cu2 octahedra, corners with five equivalent O(2)SrCuPb4 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, and edges with four equivalent O(2)SrCuPb4 octahedra. The corner-sharing octahedral tilt angles range from 0-43°. In the third O site, O(3) is bonded to four equivalent Sr(1), one Cu(2), and one Pb(1) atom to form distorted OSr4CuPb octahedra that share corners with four equivalent O(3)Sr4CuPb octahedra, corners with eight equivalent O(1)Sr2Dy2Cu2 octahedra, edges with four equivalent O(3)Sr4CuPb octahedra, edges with four equivalent O(2)SrCuPb4 octahedra, and faces with four equivalent O(1)Sr2Dy2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°.