Ba3Al2(Sb2O7)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(7), one O(8), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(9) atoms. Al(1) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Sb(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the third Sb site, Sb(3) is bonded to one O(3), one O(5), one O(6), one O(9), and two equivalent O(10) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. There are eleven inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Sb(3) atoms. In the second O site, O(11) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Sb(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Sb(1), and one Sb(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2) and one Sb(3) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Sb(1) atom. In the seventh O site, O(5) is bonded in a trigonal non-coplanar geometry to one Al(1), one Sb(2), and one Sb(3) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one Al(1), one Sb(2), and one Sb(3) atom. In the ninth O site, O(7) is bonded in a water-like geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the tenth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the eleventh O site, O(9) is bonded in a 3-coordinate geometry to one Ba(2), one Al(1), and one Sb(3) atom.
Ba3Al2(Sb2O7)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(2), one O(7), one O(8), and two equivalent O(4) atoms. The Ba(1)-O(1) bond length is 2.97 Å. The Ba(1)-O(11) bond length is 3.19 Å. The Ba(1)-O(2) bond length is 2.87 Å. The Ba(1)-O(7) bond length is 3.41 Å. The Ba(1)-O(8) bond length is 2.86 Å. There is one shorter (2.53 Å) and one longer (2.67 Å) Ba(1)-O(4) bond length. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(9) atoms. Both Ba(2)-O(3) bond lengths are 2.58 Å. Both Ba(2)-O(9) bond lengths are 2.74 Å. Al(1) is bonded to one O(10), one O(2), one O(5), one O(6), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. The Al(1)-O(10) bond length is 1.94 Å. The Al(1)-O(2) bond length is 1.88 Å. The Al(1)-O(5) bond length is 1.86 Å. The Al(1)-O(6) bond length is 1.96 Å. The Al(1)-O(9) bond length is 1.78 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(11), one O(2), one O(4), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and edges with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 41°. The Sb(1)-O(1) bond length is 2.16 Å. The Sb(1)-O(11) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 2.12 Å. The Sb(1)-O(4) bond length is 1.92 Å. The Sb(1)-O(7) bond length is 2.03 Å. The Sb(1)-O(8) bond length is 2.03 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Sb(3)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The Sb(2)-O(1) bond length is 1.97 Å. The Sb(2)-O(2) bond length is 2.07 Å. The Sb(2)-O(5) bond length is 2.12 Å. The Sb(2)-O(6) bond length is 2.08 Å. The Sb(2)-O(7) bond length is 2.00 Å. The Sb(2)-O(8) bond length is 2.00 Å. In the third Sb site, Sb(3) is bonded to one O(3), one O(5), one O(6), one O(9), and two equivalent O(10) atoms to form distorted SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. The Sb(3)-O(3) bond length is 1.86 Å. The Sb(3)-O(5) bond length is 2.06 Å. The Sb(3)-O(6) bond length is 2.29 Å. The Sb(3)-O(9) bond length is 1.97 Å. There is one shorter (2.06 Å) and one longer (2.14 Å) Sb(3)-O(10) bond length. There are eleven inequivalent O sites. In the first O site, O(10) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Sb(3) atoms. In the second O site, O(11) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent Sb(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Sb(1), and one Sb(2) atom. In the fifth O site, O(3) is bonded in a 2-coordinate geometry to one Ba(2) and one Sb(3) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Sb(1) atom. In the seventh O site, O(5) is bonded in a trigonal non-coplanar geometry to one Al(1), one Sb(2), and one Sb(3) atom. In the eighth O site, O(6) is bonded in a 3-coordinate geometry to one Al(1), one Sb(2), and one Sb(3) atom. In the ninth O site, O(7) is bonded in a water-like geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the tenth O site, O(8) is bonded in a distorted water-like geometry to one Ba(1), one Sb(1), and one Sb(2) atom. In the eleventh O site, O(9) is bonded in a 3-coordinate geometry to one Ba(2), one Al(1), and one Sb(3) atom.