BaSr3Cu8(BO3)8 crystallizes in the orthorhombic P222 space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), and two equivalent O(5) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one B(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Cu(2), and one B(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Cu(1), and one B(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Cu(1), and one B(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Cu(2), and one B(1) atom.
BaSr3Cu8(BO3)8 crystallizes in the orthorhombic P222 space group. Ba(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. All Ba(1)-O(2) bond lengths are 2.80 Å. All Ba(1)-O(4) bond lengths are 2.75 Å. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. All Sr(1)-O(1) bond lengths are 2.66 Å. All Sr(1)-O(3) bond lengths are 2.72 Å. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. All Sr(2)-O(2) bond lengths are 2.65 Å. All Sr(2)-O(4) bond lengths are 2.72 Å. In the third Sr site, Sr(3) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. All Sr(3)-O(1) bond lengths are 2.73 Å. All Sr(3)-O(3) bond lengths are 2.66 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), and two equivalent O(5) atoms. The Cu(1)-O(2) bond length is 1.95 Å. The Cu(1)-O(3) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Cu(1)-O(5) bond length. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(4), and two equivalent O(6) atoms. The Cu(2)-O(1) bond length is 1.99 Å. The Cu(2)-O(4) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Cu(2)-O(6) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(5) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. The B(2)-O(2) bond length is 1.39 Å. The B(2)-O(3) bond length is 1.39 Å. The B(2)-O(6) bond length is 1.37 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one B(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one B(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Cu(2), and one B(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Cu(1), and one B(2) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Cu(1), and one B(2) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(2), one Cu(2), and one B(1) atom.