Ba7B3SiNO13 crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one N(1), one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(7), two equivalent O(11), two equivalent O(3), and two equivalent O(8) atoms. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(1), one O(12), one O(2), one O(6), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(10), two equivalent O(13), and two equivalent O(9) atoms. In the seventh Ba site, Ba(7) is bonded in a 8-coordinate geometry to one N(1), one O(1), one O(10), one O(12), one O(13), one O(3), one O(6), and one O(8) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(13) atom. Si(1) is bonded in a tetrahedral geometry to one O(4), one O(7), one O(8), and one O(9) atom. N(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(4), and one Ba(7) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(5), two equivalent Ba(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(7), two equivalent Ba(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal bipyramidal geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(3), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(5), two equivalent Ba(6), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(6), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(3), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one B(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(6), and one B(3) atom.
Ba7B3SiNO13 crystallizes in the monoclinic P2_1 space group. There are seven inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one N(1), one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Ba(1)-N(1) bond length is 3.09 Å. The Ba(1)-O(1) bond length is 2.90 Å. The Ba(1)-O(11) bond length is 2.90 Å. The Ba(1)-O(12) bond length is 2.96 Å. The Ba(1)-O(2) bond length is 3.26 Å. The Ba(1)-O(3) bond length is 3.10 Å. The Ba(1)-O(4) bond length is 2.84 Å. The Ba(1)-O(5) bond length is 2.95 Å. The Ba(1)-O(6) bond length is 2.77 Å. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Ba(2)-O(7) bond length is 2.82 Å. There is one shorter (2.65 Å) and one longer (2.73 Å) Ba(2)-O(2) bond length. There is one shorter (2.74 Å) and one longer (2.82 Å) Ba(2)-O(4) bond length. There is one shorter (2.71 Å) and one longer (2.91 Å) Ba(2)-O(5) bond length. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(7), two equivalent O(11), two equivalent O(3), and two equivalent O(8) atoms. The Ba(3)-O(1) bond length is 2.99 Å. The Ba(3)-O(7) bond length is 2.84 Å. There is one shorter (2.66 Å) and one longer (2.72 Å) Ba(3)-O(11) bond length. There is one shorter (2.71 Å) and one longer (2.91 Å) Ba(3)-O(3) bond length. There is one shorter (2.80 Å) and one longer (2.81 Å) Ba(3)-O(8) bond length. In the fourth Ba site, Ba(4) is bonded in a 5-coordinate geometry to one N(1), one O(12), one O(2), one O(6), and one O(9) atom. The Ba(4)-N(1) bond length is 2.89 Å. The Ba(4)-O(12) bond length is 2.76 Å. The Ba(4)-O(2) bond length is 2.89 Å. The Ba(4)-O(6) bond length is 2.82 Å. The Ba(4)-O(9) bond length is 2.84 Å. In the fifth Ba site, Ba(5) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. The Ba(5)-O(10) bond length is 3.00 Å. The Ba(5)-O(11) bond length is 2.99 Å. The Ba(5)-O(13) bond length is 2.81 Å. The Ba(5)-O(2) bond length is 3.17 Å. The Ba(5)-O(3) bond length is 2.86 Å. The Ba(5)-O(4) bond length is 2.92 Å. The Ba(5)-O(5) bond length is 2.85 Å. The Ba(5)-O(7) bond length is 2.74 Å. The Ba(5)-O(8) bond length is 2.93 Å. The Ba(5)-O(9) bond length is 2.91 Å. In the sixth Ba site, Ba(6) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(10), two equivalent O(13), and two equivalent O(9) atoms. The Ba(6)-O(7) bond length is 2.84 Å. There is one shorter (2.64 Å) and one longer (2.72 Å) Ba(6)-O(10) bond length. There is one shorter (2.71 Å) and one longer (2.88 Å) Ba(6)-O(13) bond length. There is one shorter (2.76 Å) and one longer (2.80 Å) Ba(6)-O(9) bond length. In the seventh Ba site, Ba(7) is bonded in a 8-coordinate geometry to one N(1), one O(1), one O(10), one O(12), one O(13), one O(3), one O(6), and one O(8) atom. The Ba(7)-N(1) bond length is 2.88 Å. The Ba(7)-O(1) bond length is 2.87 Å. The Ba(7)-O(10) bond length is 2.97 Å. The Ba(7)-O(12) bond length is 2.83 Å. The Ba(7)-O(13) bond length is 3.32 Å. The Ba(7)-O(3) bond length is 3.10 Å. The Ba(7)-O(6) bond length is 2.90 Å. The Ba(7)-O(8) bond length is 2.84 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(6) atom. The B(2)-O(10) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.40 Å. The B(2)-O(6) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(13) atom. The B(3)-O(11) bond length is 1.40 Å. The B(3)-O(12) bond length is 1.39 Å. The B(3)-O(13) bond length is 1.40 Å. Si(1) is bonded in a tetrahedral geometry to one O(4), one O(7), one O(8), and one O(9) atom. The Si(1)-O(4) bond length is 1.65 Å. The Si(1)-O(7) bond length is 1.66 Å. The Si(1)-O(8) bond length is 1.65 Å. The Si(1)-O(9) bond length is 1.66 Å. N(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(4), and one Ba(7) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one B(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(5), two equivalent Ba(2), and one B(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), one Ba(7), two equivalent Ba(3), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(2), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal bipyramidal geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one Si(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(3), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Ba(4), one Ba(5), two equivalent Ba(6), and one Si(1) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(6), and one B(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(5), two equivalent Ba(3), and one B(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(4), one Ba(7), and one B(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(5), one Ba(7), two equivalent Ba(6), and one B(3) atom.