Sr5(BO3)3Cl crystallizes in the orthorhombic C222_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), 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(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms.
Sr5(BO3)3Cl crystallizes in the orthorhombic C222_1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent Cl(1) atoms. The Sr(1)-O(1) bond length is 2.54 Å. Both Sr(1)-O(3) bond lengths are 2.61 Å. Both Sr(1)-O(4) bond lengths are 2.59 Å. Both Sr(1)-O(5) bond lengths are 2.90 Å. Both Sr(1)-Cl(1) bond lengths are 3.15 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(3), two equivalent O(4), and two equivalent Cl(1) atoms. The Sr(2)-O(2) bond length is 2.49 Å. The Sr(2)-O(5) bond length is 2.65 Å. There is one shorter (2.63 Å) and one longer (3.05 Å) Sr(2)-O(3) bond length. There is one shorter (2.43 Å) and one longer (2.58 Å) Sr(2)-O(4) bond length. There is one shorter (2.92 Å) and one longer (3.26 Å) Sr(2)-Cl(1) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Sr(3)-O(1) bond lengths are 2.70 Å. Both Sr(3)-O(2) bond lengths are 2.50 Å. Both Sr(3)-O(3) bond lengths are 2.84 Å. Both Sr(3)-O(5) bond lengths are 2.72 Å. In the fourth Sr site, Sr(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Sr(4)-O(1) bond lengths are 2.73 Å. Both Sr(4)-O(2) bond lengths are 2.62 Å. Both Sr(4)-O(3) bond lengths are 2.88 Å. Both Sr(4)-O(5) bond lengths are 2.60 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.38 Å. The B(1)-O(5) bond length is 1.41 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(3) atoms. The B(2)-O(1) bond length is 1.40 Å. Both B(2)-O(3) bond lengths are 1.39 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(3), one Sr(4), two equivalent Sr(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and one B(1) atom. Cl(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1) and four equivalent Sr(2) atoms.