Ba4Y2Cu5O14 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(11), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to one O(11), one O(4), one O(8), one O(9), two equivalent O(2), and two equivalent O(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(6), one O(7), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(1) atoms. In the third Cu site, Cu(3) is bonded to one O(11), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(11), one O(8), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(4), one O(9), and two equivalent O(2) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 15°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the tenth O site, O(10) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 17°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom.
Ba4Y2Cu5O14 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. The Ba(1)-O(4) bond length is 2.95 Å. The Ba(1)-O(9) bond length is 2.95 Å. There is one shorter (3.03 Å) and one longer (3.15 Å) Ba(1)-O(1) bond length. There is one shorter (2.95 Å) and one longer (2.96 Å) Ba(1)-O(2) bond length. There is one shorter (2.81 Å) and one longer (2.82 Å) Ba(1)-O(3) bond length. There is one shorter (2.82 Å) and one longer (2.83 Å) Ba(1)-O(7) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(11), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. The Ba(2)-O(11) bond length is 2.99 Å. The Ba(2)-O(8) bond length is 2.99 Å. There is one shorter (2.95 Å) and one longer (3.07 Å) Ba(2)-O(1) bond length. There is one shorter (2.77 Å) and one longer (2.79 Å) Ba(2)-O(10) bond length. Both Ba(2)-O(5) bond lengths are 2.99 Å. There is one shorter (2.77 Å) and one longer (2.78 Å) Ba(2)-O(6) bond length. Y(1) is bonded in a body-centered cubic geometry to one O(11), one O(4), one O(8), one O(9), two equivalent O(2), and two equivalent O(5) atoms. The Y(1)-O(11) bond length is 2.52 Å. The Y(1)-O(4) bond length is 2.35 Å. The Y(1)-O(8) bond length is 2.52 Å. The Y(1)-O(9) bond length is 2.35 Å. Both Y(1)-O(2) bond lengths are 2.34 Å. Both Y(1)-O(5) bond lengths are 2.51 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(6), one O(7), and two equivalent O(1) atoms. The Cu(1)-O(6) bond length is 1.86 Å. The Cu(1)-O(7) bond length is 1.82 Å. Both Cu(1)-O(1) bond lengths are 1.95 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(1) atoms. The Cu(2)-O(10) bond length is 1.86 Å. The Cu(2)-O(3) bond length is 1.84 Å. Both Cu(2)-O(1) bond lengths are 1.95 Å. In the third Cu site, Cu(3) is bonded to one O(11), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(3)-O(11) bond length is 1.96 Å. The Cu(3)-O(6) bond length is 2.40 Å. The Cu(3)-O(8) bond length is 1.96 Å. Both Cu(3)-O(5) bond lengths are 1.97 Å. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(11), one O(8), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. The Cu(4)-O(10) bond length is 2.46 Å. The Cu(4)-O(11) bond length is 1.95 Å. The Cu(4)-O(8) bond length is 1.95 Å. Both Cu(4)-O(5) bond lengths are 1.95 Å. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(4), one O(9), and two equivalent O(2) atoms. The Cu(5)-O(4) bond length is 1.84 Å. The Cu(5)-O(9) bond length is 1.84 Å. Both Cu(5)-O(2) bond lengths are 1.84 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to four equivalent Ba(1) and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 15°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the tenth O site, O(10) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 17°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom.