Ba6Pr2Y(CuO2)12 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(6), two equivalent O(9), and four equivalent O(3) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(11), two equivalent O(12), two equivalent O(5), and two equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(4) 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(1), one O(9), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2) and three equivalent O(8) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(3), one O(7), and two equivalent O(9) atoms. In the fourth Cu site, Cu(4) is bonded to one O(1), two equivalent O(10), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(2), two equivalent O(11), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the sixth Cu site, Cu(6) is bonded to one O(3), two equivalent O(12), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(4) 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(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(5) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O site, O(3) is bonded to four equivalent Ba(3), one Cu(3), and one Cu(6) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. 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(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(1), and two equivalent Cu(5) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(3), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and three equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Ba(3), one Cu(1), and two equivalent Cu(3) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(1), and two equivalent Cu(5) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(6) atoms.
Ba6Pr2Y(CuO2)12 crystallizes in the orthorhombic Cmmm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(10), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. Both Ba(1)-O(10) bond lengths are 3.04 Å. Both Ba(1)-O(4) bond lengths are 3.02 Å. Both Ba(1)-O(7) bond lengths are 3.03 Å. All Ba(1)-O(1) bond lengths are 2.79 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(11), two equivalent O(5), two equivalent O(8), and four equivalent O(2) atoms. Both Ba(2)-O(11) bond lengths are 2.99 Å. Both Ba(2)-O(5) bond lengths are 2.96 Å. Both Ba(2)-O(8) bond lengths are 3.01 Å. All Ba(2)-O(2) bond lengths are 2.79 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to two equivalent O(12), two equivalent O(6), two equivalent O(9), and four equivalent O(3) atoms. Both Ba(3)-O(12) bond lengths are 2.99 Å. Both Ba(3)-O(6) bond lengths are 2.96 Å. Both Ba(3)-O(9) bond lengths are 3.02 Å. All Ba(3)-O(3) bond lengths are 2.79 Å. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(11), two equivalent O(12), two equivalent O(5), and two equivalent O(6) atoms. Both Pr(1)-O(11) bond lengths are 2.49 Å. Both Pr(1)-O(12) bond lengths are 2.50 Å. Both Pr(1)-O(5) bond lengths are 2.50 Å. Both Pr(1)-O(6) bond lengths are 2.50 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(10) and four equivalent O(4) atoms. All Y(1)-O(10) bond lengths are 2.44 Å. All Y(1)-O(4) bond lengths are 2.44 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(1), one O(9), and two equivalent O(7) atoms. The Cu(1)-O(1) bond length is 1.85 Å. The Cu(1)-O(9) bond length is 1.90 Å. Both Cu(1)-O(7) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(2) and three equivalent O(8) atoms. The Cu(2)-O(2) bond length is 1.84 Å. There is one shorter (1.89 Å) and two longer (1.97 Å) Cu(2)-O(8) bond lengths. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(3), one O(7), and two equivalent O(9) atoms. The Cu(3)-O(3) bond length is 1.85 Å. The Cu(3)-O(7) bond length is 1.89 Å. Both Cu(3)-O(9) bond lengths are 1.97 Å. In the fourth Cu site, Cu(4) is bonded to one O(1), two equivalent O(10), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(4)-O(1) bond length is 2.32 Å. Both Cu(4)-O(10) bond lengths are 1.98 Å. Both Cu(4)-O(4) bond lengths are 1.99 Å. In the fifth Cu site, Cu(5) is bonded to one O(2), two equivalent O(11), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. The Cu(5)-O(2) bond length is 2.25 Å. Both Cu(5)-O(11) bond lengths are 1.97 Å. Both Cu(5)-O(5) bond lengths are 1.98 Å. In the sixth Cu site, Cu(6) is bonded to one O(3), two equivalent O(12), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(6)-O(3) bond length is 2.25 Å. Both Cu(6)-O(12) bond lengths are 1.97 Å. Both Cu(6)-O(6) bond lengths are 1.98 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(4) 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(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(5) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O site, O(3) is bonded to four equivalent Ba(3), one Cu(3), and one Cu(6) atom to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°. 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(4) atoms. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(1), and two equivalent Cu(5) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(6) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(3), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent Ba(2) and three equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Ba(3), one Cu(1), and two equivalent Cu(3) atoms. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(4) atoms. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Pr(1), and two equivalent Cu(5) atoms. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to two equivalent Ba(3), two equivalent Pr(1), and two equivalent Cu(6) atoms.