Ba8PrY3(Cu3O7)4 crystallizes in the orthorhombic Pmmm space group. There are four 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(10), two equivalent O(11), and four equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and four equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(13), two equivalent O(3), two equivalent O(9), and four equivalent O(7) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(14), two equivalent O(4), two equivalent O(9), and four equivalent O(8) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(14) and four equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(3) atoms. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(12) and four equivalent O(2) atoms. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(9) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(5), one O(6), and two equivalent O(10) atoms. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(1), and two equivalent O(11) atoms to form corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(6), two equivalent O(12), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(7), two equivalent O(13), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(8), two equivalent O(14), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(1), and one Cu(5) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(1), and one Cu(6) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the tenth O site, O(10) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms.
Ba8PrY3(Cu3O7)4 crystallizes in the orthorhombic Pmmm space group. There are four 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(10), two equivalent O(11), and four equivalent O(5) atoms. Both Ba(1)-O(1) bond lengths are 3.06 Å. Both Ba(1)-O(10) bond lengths are 2.88 Å. Both Ba(1)-O(11) bond lengths are 3.02 Å. All Ba(1)-O(5) bond lengths are 2.77 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(12), two equivalent O(2), and four equivalent O(6) atoms. Both Ba(2)-O(10) bond lengths are 2.88 Å. Both Ba(2)-O(12) bond lengths are 3.02 Å. Both Ba(2)-O(2) bond lengths are 3.06 Å. All Ba(2)-O(6) bond lengths are 2.77 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(13), two equivalent O(3), two equivalent O(9), and four equivalent O(7) atoms. Both Ba(3)-O(13) bond lengths are 3.02 Å. Both Ba(3)-O(3) bond lengths are 3.06 Å. Both Ba(3)-O(9) bond lengths are 2.87 Å. All Ba(3)-O(7) bond lengths are 2.77 Å. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(14), two equivalent O(4), two equivalent O(9), and four equivalent O(8) atoms. Both Ba(4)-O(14) bond lengths are 2.96 Å. Both Ba(4)-O(4) bond lengths are 3.00 Å. Both Ba(4)-O(9) bond lengths are 2.87 Å. All Ba(4)-O(8) bond lengths are 2.77 Å. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(14) and four equivalent O(4) atoms. All Pr(1)-O(14) bond lengths are 2.48 Å. All Pr(1)-O(4) bond lengths are 2.50 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(11), two equivalent O(13), and two equivalent O(3) atoms. Both Y(1)-O(1) bond lengths are 2.43 Å. Both Y(1)-O(11) bond lengths are 2.41 Å. Both Y(1)-O(13) bond lengths are 2.41 Å. Both Y(1)-O(3) bond lengths are 2.43 Å. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to four equivalent O(12) and four equivalent O(2) atoms. All Y(2)-O(12) bond lengths are 2.41 Å. All Y(2)-O(2) bond lengths are 2.43 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(7), one O(8), and two equivalent O(9) atoms. The Cu(1)-O(7) bond length is 1.88 Å. The Cu(1)-O(8) bond length is 1.87 Å. Both Cu(1)-O(9) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(5), one O(6), and two equivalent O(10) atoms. The Cu(2)-O(5) bond length is 1.88 Å. The Cu(2)-O(6) bond length is 1.88 Å. Both Cu(2)-O(10) bond lengths are 1.97 Å. In the third Cu site, Cu(3) is bonded to one O(5), two equivalent O(1), and two equivalent O(11) atoms to form corner-sharing CuO5 square pyramids. The Cu(3)-O(5) bond length is 2.28 Å. Both Cu(3)-O(1) bond lengths are 1.95 Å. Both Cu(3)-O(11) bond lengths are 1.99 Å. In the fourth Cu site, Cu(4) is bonded to one O(6), two equivalent O(12), and two equivalent O(2) atoms to form corner-sharing CuO5 square pyramids. The Cu(4)-O(6) bond length is 2.28 Å. Both Cu(4)-O(12) bond lengths are 1.99 Å. Both Cu(4)-O(2) bond lengths are 1.95 Å. In the fifth Cu site, Cu(5) is bonded to one O(7), two equivalent O(13), and two equivalent O(3) atoms to form corner-sharing CuO5 square pyramids. The Cu(5)-O(7) bond length is 2.27 Å. Both Cu(5)-O(13) bond lengths are 1.99 Å. Both Cu(5)-O(3) bond lengths are 1.95 Å. In the sixth Cu site, Cu(6) is bonded to one O(8), two equivalent O(14), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(6)-O(8) bond length is 2.21 Å. Both Cu(6)-O(14) bond lengths are 1.99 Å. Both Cu(6)-O(4) bond lengths are 1.95 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(3) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the seventh O site, O(7) is bonded to four equivalent Ba(3), one Cu(1), and one Cu(5) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the eighth O site, O(8) is bonded to four equivalent Ba(4), one Cu(1), and one Cu(6) atom to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the ninth O site, O(9) is bonded to two equivalent Ba(3), two equivalent Ba(4), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the tenth O site, O(10) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(2) atoms to form a mixture of distorted face, corner, and edge-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(3) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(2), and two equivalent Cu(4) atoms. In the thirteenth O site, O(13) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Y(1), and two equivalent Cu(5) atoms. In the fourteenth O site, O(14) is bonded in a 6-coordinate geometry to two equivalent Ba(4), two equivalent Pr(1), and two equivalent Cu(6) atoms.