Y2Ba4Cu7O15 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(7), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(4) and three equivalent O(1) atoms. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(7) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. There are eight inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(8) is bonded to four equivalent Ba(2) and two equivalent Cu(4) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and three equivalent Cu(2) atoms. In the seventh O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the eighth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms.
Y2Ba4Cu7O15 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(7), and four equivalent O(4) atoms. Both Ba(1)-O(1) bond lengths are 3.01 Å. Both Ba(1)-O(2) bond lengths are 2.98 Å. Both Ba(1)-O(7) bond lengths are 3.06 Å. All Ba(1)-O(4) bond lengths are 2.77 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(8), and four equivalent O(6) atoms. Both Ba(2)-O(3) bond lengths are 3.01 Å. Both Ba(2)-O(5) bond lengths are 3.05 Å. Both Ba(2)-O(8) bond lengths are 2.90 Å. All Ba(2)-O(6) bond lengths are 2.77 Å. Y(1) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. Both Y(1)-O(2) bond lengths are 2.45 Å. Both Y(1)-O(3) bond lengths are 2.44 Å. Both Y(1)-O(5) bond lengths are 2.39 Å. Both Y(1)-O(7) bond lengths are 2.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(6) bond length is 2.30 Å. Both Cu(1)-O(3) bond lengths are 1.96 Å. Both Cu(1)-O(5) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(4) and three equivalent O(1) atoms. The Cu(2)-O(4) bond length is 1.85 Å. There is one shorter (1.89 Å) and two longer (1.95 Å) Cu(2)-O(1) bond lengths. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(2), and two equivalent O(7) atoms to form corner-sharing CuO5 square pyramids. The Cu(3)-O(4) bond length is 2.31 Å. Both Cu(3)-O(2) bond lengths are 1.97 Å. Both Cu(3)-O(7) bond lengths are 1.97 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(8) atoms. Both Cu(4)-O(6) bond lengths are 1.88 Å. Both Cu(4)-O(8) bond lengths are 1.96 Å. There are eight inequivalent O sites. In the first O site, O(4) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms. In the third O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the fourth O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the fifth O site, O(8) is bonded to four equivalent Ba(2) and two equivalent Cu(4) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1) and three equivalent Cu(2) atoms. In the seventh O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the eighth O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), and two equivalent Cu(1) atoms.