BaSrCuCO4 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one C(1), two equivalent C(2), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one C(1), one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one C(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one C(1), one O(1), one O(2), one O(5), one O(6), and one O(7) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one C(2), one O(2), one O(4), one O(6), and one O(8) atom. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one C(2) atom. In the second C site, C(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Cu(2), and one C(1) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Sr(1), one Sr(2), one Cu(1), one Cu(2), and one O(8) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Cu(1), and one O(4) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one Cu(2), and one O(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one O(7) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), and one O(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Cu(2), and one O(2) atom.
BaSrCuCO4 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one C(1), two equivalent C(2), one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. The Ba(1)-C(1) bond length is 3.23 Å. There is one shorter (3.15 Å) and one longer (3.28 Å) Ba(1)-C(2) bond length. The Ba(1)-O(1) bond length is 2.68 Å. The Ba(1)-O(3) bond length is 3.29 Å. The Ba(1)-O(4) bond length is 2.78 Å. The Ba(1)-O(5) bond length is 2.93 Å. The Ba(1)-O(6) bond length is 2.65 Å. The Ba(1)-O(7) bond length is 2.96 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one C(1), one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Ba(2)-C(1) bond length is 2.86 Å. The Ba(2)-O(1) bond length is 2.64 Å. The Ba(2)-O(2) bond length is 2.78 Å. The Ba(2)-O(3) bond length is 2.72 Å. The Ba(2)-O(5) bond length is 3.18 Å. The Ba(2)-O(6) bond length is 3.03 Å. The Ba(2)-O(7) bond length is 3.27 Å. The Ba(2)-O(8) bond length is 2.65 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one C(1), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Sr(1)-C(1) bond length is 2.72 Å. The Sr(1)-O(1) bond length is 2.95 Å. The Sr(1)-O(2) bond length is 2.66 Å. The Sr(1)-O(3) bond length is 2.44 Å. The Sr(1)-O(4) bond length is 2.58 Å. The Sr(1)-O(5) bond length is 2.86 Å. The Sr(1)-O(6) bond length is 2.47 Å. The Sr(1)-O(8) bond length is 2.64 Å. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one C(1), one O(1), one O(2), one O(5), one O(6), and one O(7) atom. The Sr(2)-C(1) bond length is 2.93 Å. The Sr(2)-O(1) bond length is 2.68 Å. The Sr(2)-O(2) bond length is 2.67 Å. The Sr(2)-O(5) bond length is 2.57 Å. The Sr(2)-O(6) bond length is 2.60 Å. The Sr(2)-O(7) bond length is 2.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(2) bond length is 1.94 Å. The Cu(1)-O(3) bond length is 1.88 Å. The Cu(1)-O(6) bond length is 2.02 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one C(2), one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-C(2) bond length is 1.86 Å. The Cu(2)-O(2) bond length is 2.41 Å. The Cu(2)-O(4) bond length is 1.95 Å. The Cu(2)-O(6) bond length is 2.54 Å. The Cu(2)-O(8) bond length is 1.91 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one C(2) atom. The C(1)-C(2) bond length is 1.26 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Cu(2), and one C(1) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Sr(1), one Sr(2), one Cu(1), one Cu(2), and one O(8) atom. The O(2)-O(8) bond length is 1.49 Å. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Cu(1), and one O(4) atom. The O(3)-O(4) bond length is 1.51 Å. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Ba(1), one Sr(1), one Cu(2), and one O(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one O(7) atom. The O(5)-O(7) bond length is 1.49 Å. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), and one O(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Sr(1), one Cu(2), and one O(2) atom.