Ba3SrSb2O9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(5), one O(8), two equivalent O(3), two equivalent O(7), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(9), and three equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(6), one O(7), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form SrO6 octahedra that share corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. In the second Sb site, Sb(2) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with three equivalent Sr(2)O6 octahedra and  a faceface with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Sr(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sb(1), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(3), one Sb(1), and one Sb(2) atom.
Ba3SrSb2O9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(5), one O(8), two equivalent O(3), two equivalent O(7), and three equivalent O(1) atoms. The Ba(1)-O(5) bond length is 3.18 Å. The Ba(1)-O(8) bond length is 2.81 Å. There is one shorter (2.71 Å) and one longer (3.41 Å) Ba(1)-O(3) bond length. There is one shorter (3.05 Å) and one longer (3.16 Å) Ba(1)-O(7) bond length. There are a spread of Ba(1)-O(1) bond distances ranging from 2.82-3.20 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(9), and three equivalent O(4) atoms. The Ba(2)-O(2) bond length is 2.79 Å. The Ba(2)-O(5) bond length is 3.02 Å. The Ba(2)-O(6) bond length is 2.83 Å. The Ba(2)-O(9) bond length is 2.87 Å. There are a spread of Ba(2)-O(4) bond distances ranging from 2.83-3.38 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(6), one O(7), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. The Ba(3)-O(2) bond length is 2.85 Å. The Ba(3)-O(3) bond length is 3.01 Å. The Ba(3)-O(6) bond length is 2.70 Å. The Ba(3)-O(7) bond length is 2.66 Å. There is one shorter (2.99 Å) and one longer (3.28 Å) Ba(3)-O(5) bond length. There is one shorter (2.96 Å) and one longer (3.26 Å) Ba(3)-O(8) bond length. There is one shorter (3.03 Å) and one longer (3.19 Å) Ba(3)-O(9) bond length. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SrO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. Both Sr(1)-O(2) bond lengths are 2.40 Å. Both Sr(1)-O(4) bond lengths are 2.49 Å. Both Sr(1)-O(6) bond lengths are 2.44 Å. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form SrO6 octahedra that share corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. Both Sr(2)-O(1) bond lengths are 2.45 Å. Both Sr(2)-O(3) bond lengths are 2.42 Å. Both Sr(2)-O(7) bond lengths are 2.43 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with three equivalent Sr(1)O6 octahedra and  a faceface with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-28°. The Sb(1)-O(2) bond length is 1.96 Å. The Sb(1)-O(4) bond length is 1.96 Å. The Sb(1)-O(5) bond length is 2.12 Å. The Sb(1)-O(6) bond length is 1.96 Å. The Sb(1)-O(8) bond length is 2.17 Å. The Sb(1)-O(9) bond length is 2.07 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form SbO6 octahedra that share corners with three equivalent Sr(2)O6 octahedra and  a faceface with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-25°. The Sb(2)-O(1) bond length is 1.96 Å. The Sb(2)-O(3) bond length is 1.96 Å. The Sb(2)-O(5) bond length is 2.15 Å. The Sb(2)-O(7) bond length is 1.96 Å. The Sb(2)-O(8) bond length is 2.06 Å. The Sb(2)-O(9) bond length is 2.14 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Ba(2), one Sr(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Sb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Sr(1), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(3), two equivalent Ba(1), one Sr(2), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Ba(3), one Sb(1), and one Sb(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(3), one Sb(1), and one Sb(2) atom.