Ba2Sr5B4S13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), and four equivalent S(5) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), and four equivalent S(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(3), one S(4), one S(5), one S(7), two equivalent S(1), and two equivalent S(6) atoms. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one S(2), one S(4), one S(5), one S(7), two equivalent S(1), and two equivalent S(6) atoms. There are two inequivalent B sites. In the first B site, B(2) is bonded in a trigonal planar geometry to one S(3), one S(5), and one S(6) atom. In the second B site, B(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(4) atom. There are seven inequivalent S sites. In the first S site, S(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Sr(2), two equivalent Sr(3), and one B(2) atom. In the second S site, S(7) is bonded in a distorted trigonal bipyramidal geometry to one Ba(1), two equivalent Sr(2), and two equivalent Sr(3) atoms. In the third S site, S(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Sr(2), two equivalent Sr(3), and one B(1) atom. In the fourth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Ba(2), one Sr(2), one Sr(3), and one B(2) atom. In the fifth S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1), one Sr(3), two equivalent Sr(1), and one B(1) atom. In the sixth S site, S(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one B(2) atom. In the seventh S site, S(4) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(1), one Sr(2), one Sr(3), and one B(1) atom.
Ba2Sr5B4S13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(6) atoms. The Ba(1)-S(7) bond length is 3.08 Å. Both Ba(1)-S(1) bond lengths are 3.36 Å. Both Ba(1)-S(2) bond lengths are 3.31 Å. Both Ba(1)-S(3) bond lengths are 3.34 Å. Both Ba(1)-S(6) bond lengths are 3.36 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), and four equivalent S(5) atoms. Both Ba(2)-S(3) bond lengths are 3.25 Å. Both Ba(2)-S(4) bond lengths are 3.27 Å. There are two shorter (3.22 Å) and two longer (3.26 Å) Ba(2)-S(5) bond lengths. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(3), two equivalent S(4), and four equivalent S(2) atoms. Both Sr(1)-S(3) bond lengths are 3.21 Å. Both Sr(1)-S(4) bond lengths are 3.10 Å. There are two shorter (3.10 Å) and two longer (3.25 Å) Sr(1)-S(2) bond lengths. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one S(3), one S(4), one S(5), one S(7), two equivalent S(1), and two equivalent S(6) atoms. The Sr(2)-S(3) bond length is 3.13 Å. The Sr(2)-S(4) bond length is 3.23 Å. The Sr(2)-S(5) bond length is 2.98 Å. The Sr(2)-S(7) bond length is 3.00 Å. There is one shorter (3.08 Å) and one longer (3.16 Å) Sr(2)-S(1) bond length. There is one shorter (3.15 Å) and one longer (3.37 Å) Sr(2)-S(6) bond length. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one S(2), one S(4), one S(5), one S(7), two equivalent S(1), and two equivalent S(6) atoms. The Sr(3)-S(2) bond length is 3.11 Å. The Sr(3)-S(4) bond length is 2.97 Å. The Sr(3)-S(5) bond length is 3.27 Å. The Sr(3)-S(7) bond length is 2.98 Å. There is one shorter (3.16 Å) and one longer (3.39 Å) Sr(3)-S(1) bond length. There is one shorter (3.08 Å) and one longer (3.19 Å) Sr(3)-S(6) bond length. There are two inequivalent B sites. In the first B site, B(2) is bonded in a trigonal planar geometry to one S(3), one S(5), and one S(6) atom. The B(2)-S(3) bond length is 1.81 Å. The B(2)-S(5) bond length is 1.82 Å. The B(2)-S(6) bond length is 1.86 Å. In the second B site, B(1) is bonded in a trigonal planar geometry to one S(1), one S(2), and one S(4) atom. The B(1)-S(1) bond length is 1.85 Å. The B(1)-S(2) bond length is 1.81 Å. The B(1)-S(4) bond length is 1.82 Å. There are seven inequivalent S sites. In the first S site, S(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Sr(2), two equivalent Sr(3), and one B(2) atom. In the second S site, S(7) is bonded in a distorted trigonal bipyramidal geometry to one Ba(1), two equivalent Sr(2), and two equivalent Sr(3) atoms. In the third S site, S(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Sr(2), two equivalent Sr(3), and one B(1) atom. In the fourth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Ba(2), one Sr(2), one Sr(3), and one B(2) atom. In the fifth S site, S(2) is bonded in a distorted single-bond geometry to one Ba(1), one Sr(3), two equivalent Sr(1), and one B(1) atom. In the sixth S site, S(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Sr(1), one Sr(2), and one B(2) atom. In the seventh S site, S(4) is bonded in a 5-coordinate geometry to one Ba(2), one Sr(1), one Sr(2), one Sr(3), and one B(1) atom.