Ba4Y2Cu6O13 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a linear geometry to two equivalent O(1) atoms. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. 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(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(4) atoms.
Ba4Y2Cu6O13 crystallizes in the orthorhombic Pmmm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(3), one O(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. The Ba(1)-O(3) bond length is 3.03 Å. The Ba(1)-O(4) bond length is 2.96 Å. The Ba(1)-O(6) bond length is 2.93 Å. Both Ba(1)-O(1) bond lengths are 2.82 Å. Both Ba(1)-O(2) bond lengths are 2.73 Å. Both Ba(1)-O(5) bond lengths are 3.02 Å. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(5) atoms. Both Y(1)-O(3) bond lengths are 2.41 Å. Both Y(1)-O(4) bond lengths are 2.42 Å. All Y(1)-O(5) bond lengths are 2.43 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.52 Å. Both Cu(1)-O(3) bond lengths are 1.97 Å. Both Cu(1)-O(5) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(2) bond length is 2.41 Å. Both Cu(2)-O(4) bond lengths are 1.97 Å. Both Cu(2)-O(5) bond lengths are 1.95 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to two equivalent O(1) atoms. Both Cu(3)-O(1) bond lengths are 1.79 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(6) atoms. Both Cu(4)-O(2) bond lengths are 1.90 Å. Both Cu(4)-O(6) bond lengths are 1.95 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(4) atom to form a mixture of distorted corner and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. 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(2) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Cu(4) atoms.