Ba3SrY8(CuO5)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(11), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(10), two equivalent O(12), and two equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(3)O7 pentagonal bipyramids, and  an edgeedge with one Cu(2)O5 square pyramid. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(4)O7 pentagonal bipyramids, edges with two equivalent Y(7)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. In the third Y site, Y(3) is bonded to one O(3), two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids, edges with two equivalent Y(1)O7 pentagonal bipyramids,  an edgeedge with one Cu(4)O5 square pyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. In the fourth Y site, Y(4) is bonded to one O(4), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids,  an edgeedge with one Y(7)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Cu(3)O5 square pyramid. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the sixth Y site, Y(6) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms. In the seventh Y site, Y(7) is bonded to one O(3), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  an edgeedge with one Y(4)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, edges with two equivalent Cu(1)O5 square pyramids,  a faceface with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Cu(4)O5 square pyramid. In the eighth Y site, Y(8) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids,  an edgeedge with one Y(2)O7 pentagonal bipyramid, and edges with two equivalent Y(7)O7 pentagonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(12), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, and  an edgeedge with one Y(1)O7 pentagonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(5), and two equivalent O(9) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(4)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Y(4)O7 pentagonal bipyramid. In the fourth Cu site, Cu(4) is bonded to one O(3), two equivalent O(10), and two equivalent O(6) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(3)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids,  an edgeedge with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), one Sr(1), one Y(1), one Y(5), and one Cu(2) atom to form OBa2SrY2Cu octahedra that share corners with two equivalent O(1)Ba2SrY2Cu octahedra and edges with two equivalent O(3)BaSr2Y2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(3), one Y(2), one Y(6), and one Cu(1) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Ba(2), two equivalent Sr(1), one Y(3), one Y(7), and one Cu(4) atom to form OBaSr2Y2Cu octahedra that share corners with two equivalent O(3)BaSr2Y2Cu octahedra and edges with two equivalent O(1)Ba2SrY2Cu octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Ba(3), two equivalent Ba(1), one Y(4), one Y(8), and one Cu(3) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(5), one Y(8), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(2), one Y(6), one Y(7), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(3), one Y(6), one Y(7), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(4), one Y(5), one Y(8), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(5), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(3), one Y(6), and one Cu(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(7), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Y(1), one Y(3), one Y(8), and one Cu(2) atom.
Ba3SrY8(CuO5)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(11), two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. The Ba(1)-O(2) bond length is 2.64 Å. Both Ba(1)-O(11) bond lengths are 3.10 Å. Both Ba(1)-O(4) bond lengths are 2.85 Å. Both Ba(1)-O(5) bond lengths are 3.04 Å. Both Ba(1)-O(8) bond lengths are 2.98 Å. Both Ba(1)-O(9) bond lengths are 3.30 Å. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(10), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. The Ba(2)-O(3) bond length is 2.59 Å. Both Ba(2)-O(1) bond lengths are 2.85 Å. Both Ba(2)-O(10) bond lengths are 3.11 Å. Both Ba(2)-O(12) bond lengths are 3.29 Å. Both Ba(2)-O(5) bond lengths are 2.98 Å. Both Ba(2)-O(8) bond lengths are 3.04 Å. In the third Ba site, Ba(3) is bonded in a 11-coordinate geometry to one O(4), two equivalent O(11), two equivalent O(2), two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms. The Ba(3)-O(4) bond length is 2.63 Å. Both Ba(3)-O(11) bond lengths are 3.30 Å. Both Ba(3)-O(2) bond lengths are 2.85 Å. Both Ba(3)-O(6) bond lengths are 3.01 Å. Both Ba(3)-O(7) bond lengths are 3.08 Å. Both Ba(3)-O(9) bond lengths are 3.11 Å. Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(12), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. The Sr(1)-O(1) bond length is 2.51 Å. Both Sr(1)-O(12) bond lengths are 3.04 Å. Both Sr(1)-O(3) bond lengths are 2.85 Å. Both Sr(1)-O(6) bond lengths are 3.05 Å. Both Sr(1)-O(7) bond lengths are 2.92 Å. There are eight inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), two equivalent O(10), two equivalent O(12), and two equivalent O(5) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(2)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(3)O7 pentagonal bipyramids, and  an edgeedge with one Cu(2)O5 square pyramid. The Y(1)-O(1) bond length is 2.30 Å. Both Y(1)-O(10) bond lengths are 2.29 Å. Both Y(1)-O(12) bond lengths are 2.39 Å. Both Y(1)-O(5) bond lengths are 2.39 Å. In the second Y site, Y(2) is bonded to one O(2), two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid, corners with two equivalent Cu(3)O5 square pyramids, corners with two equivalent Cu(4)O5 square pyramids, edges with two equivalent Y(4)O7 pentagonal bipyramids, edges with two equivalent Y(7)O7 pentagonal bipyramids, and  an edgeedge with one Cu(1)O5 square pyramid. The Y(2)-O(2) bond length is 2.28 Å. Both Y(2)-O(11) bond lengths are 2.38 Å. Both Y(2)-O(6) bond lengths are 2.40 Å. Both Y(2)-O(9) bond lengths are 2.31 Å. In the third Y site, Y(3) is bonded to one O(3), two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(4)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids, edges with two equivalent Y(1)O7 pentagonal bipyramids,  an edgeedge with one Cu(4)O5 square pyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. The Y(3)-O(3) bond length is 2.28 Å. Both Y(3)-O(10) bond lengths are 2.38 Å. Both Y(3)-O(12) bond lengths are 2.30 Å. Both Y(3)-O(7) bond lengths are 2.38 Å. In the fourth Y site, Y(4) is bonded to one O(4), two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Cu(3)O5 square pyramid, corners with two equivalent Cu(1)O5 square pyramids, corners with two equivalent Cu(2)O5 square pyramids,  an edgeedge with one Y(7)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Cu(3)O5 square pyramid. The Y(4)-O(4) bond length is 2.29 Å. Both Y(4)-O(11) bond lengths are 2.31 Å. Both Y(4)-O(8) bond lengths are 2.40 Å. Both Y(4)-O(9) bond lengths are 2.38 Å. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. The Y(5)-O(1) bond length is 2.37 Å. Both Y(5)-O(5) bond lengths are 2.38 Å. Both Y(5)-O(8) bond lengths are 2.34 Å. Both Y(5)-O(9) bond lengths are 2.33 Å. In the sixth Y site, Y(6) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(6), and two equivalent O(7) atoms. The Y(6)-O(2) bond length is 2.30 Å. Both Y(6)-O(10) bond lengths are 2.32 Å. Both Y(6)-O(6) bond lengths are 2.38 Å. Both Y(6)-O(7) bond lengths are 2.36 Å. In the seventh Y site, Y(7) is bonded to one O(3), two equivalent O(11), two equivalent O(6), and two equivalent O(7) atoms to form distorted YO7 pentagonal bipyramids that share  an edgeedge with one Y(4)O7 pentagonal bipyramid, edges with two equivalent Y(2)O7 pentagonal bipyramids, edges with two equivalent Cu(1)O5 square pyramids,  a faceface with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Cu(4)O5 square pyramid. The Y(7)-O(3) bond length is 2.30 Å. Both Y(7)-O(11) bond lengths are 2.34 Å. Both Y(7)-O(6) bond lengths are 2.33 Å. Both Y(7)-O(7) bond lengths are 2.38 Å. In the eighth Y site, Y(8) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(12), two equivalent O(5), and two equivalent O(8) atoms. The Y(8)-O(4) bond length is 2.30 Å. Both Y(8)-O(12) bond lengths are 2.33 Å. Both Y(8)-O(5) bond lengths are 2.35 Å. Both Y(8)-O(8) bond lengths are 2.38 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(11), and two equivalent O(7) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(2)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids,  an edgeedge with one Y(2)O7 pentagonal bipyramid, and edges with two equivalent Y(7)O7 pentagonal bipyramids. The Cu(1)-O(2) bond length is 2.33 Å. Both Cu(1)-O(11) bond lengths are 2.00 Å. Both Cu(1)-O(7) bond lengths are 2.01 Å. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(12), and two equivalent O(8) atoms to form CuO5 square pyramids that share  a cornercorner with one Y(1)O7 pentagonal bipyramid, corners with two equivalent Y(3)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, and  an edgeedge with one Y(1)O7 pentagonal bipyramid. The Cu(2)-O(1) bond length is 2.30 Å. Both Cu(2)-O(12) bond lengths are 1.98 Å. Both Cu(2)-O(8) bond lengths are 2.03 Å. In the third Cu site, Cu(3) is bonded to one O(4), two equivalent O(5), and two equivalent O(9) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(4)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids, and  an edgeedge with one Y(4)O7 pentagonal bipyramid. The Cu(3)-O(4) bond length is 2.31 Å. Both Cu(3)-O(5) bond lengths are 2.03 Å. Both Cu(3)-O(9) bond lengths are 1.99 Å. In the fourth Cu site, Cu(4) is bonded to one O(3), two equivalent O(10), and two equivalent O(6) atoms to form distorted CuO5 square pyramids that share  a cornercorner with one Y(3)O7 pentagonal bipyramid, corners with two equivalent Y(1)O7 pentagonal bipyramids, corners with two equivalent Y(2)O7 pentagonal bipyramids,  an edgeedge with one Y(3)O7 pentagonal bipyramid, and  a faceface with one Y(7)O7 pentagonal bipyramid. The Cu(4)-O(3) bond length is 2.30 Å. Both Cu(4)-O(10) bond lengths are 1.98 Å. Both Cu(4)-O(6) bond lengths are 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2), one Sr(1), one Y(1), one Y(5), and one Cu(2) atom to form OBa2SrY2Cu octahedra that share corners with two equivalent O(1)Ba2SrY2Cu octahedra and edges with two equivalent O(3)BaSr2Y2Cu octahedra. The corner-sharing octahedral tilt angles are 3°. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(3), one Y(2), one Y(6), and one Cu(1) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded to one Ba(2), two equivalent Sr(1), one Y(3), one Y(7), and one Cu(4) atom to form OBaSr2Y2Cu octahedra that share corners with two equivalent O(3)BaSr2Y2Cu octahedra and edges with two equivalent O(1)Ba2SrY2Cu octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(4) is bonded to one Ba(3), two equivalent Ba(1), one Y(4), one Y(8), and one Cu(3) atom to form a mixture of corner and edge-sharing OBa3Y2Cu octahedra. The corner-sharing octahedral tilt angles are 5°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(5), one Y(8), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(2), one Y(6), one Y(7), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(3), one Sr(1), one Y(3), one Y(6), one Y(7), and one Cu(1) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Y(4), one Y(5), one Y(8), and one Cu(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(5), and one Cu(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Y(1), one Y(3), one Y(6), and one Cu(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(3), one Y(2), one Y(4), one Y(7), and one Cu(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Y(1), one Y(3), one Y(8), and one Cu(2) atom.