Sb6O13 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(4) atoms. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted SbO8 hexagonal bipyramids that share edges with two equivalent Sb(2)O8 hexagonal bipyramids, edges with two equivalent Sb(3)O6 octahedra, edges with two equivalent Sb(4)O6 octahedra, and edges with two equivalent Sb(5)O6 octahedra. In the third Sb site, Sb(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with two equivalent Sb(5)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. In the fourth Sb site, Sb(4) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(5)O6 octahedra, corners with two equivalent Sb(6)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-51°. In the fifth Sb site, Sb(5) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with two equivalent Sb(6)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-51°. In the sixth Sb site, Sb(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(9) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(5) and one Sb(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to one Sb(4), one Sb(5), and two equivalent Sb(2) atoms to form distorted corner-sharing OSb4 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2), one Sb(3), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sb(2), one Sb(3), and one Sb(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Sb(3) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(4) and one Sb(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Sb(1) and two equivalent Sb(6) atoms.
Sb6O13 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(4) atoms. The Sb(1)-O(2) bond length is 1.97 Å. The Sb(1)-O(9) bond length is 2.17 Å. Both Sb(1)-O(4) bond lengths are 2.40 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted SbO8 hexagonal bipyramids that share edges with two equivalent Sb(2)O8 hexagonal bipyramids, edges with two equivalent Sb(3)O6 octahedra, edges with two equivalent Sb(4)O6 octahedra, and edges with two equivalent Sb(5)O6 octahedra. Both Sb(2)-O(2) bond lengths are 2.31 Å. Both Sb(2)-O(3) bond lengths are 2.50 Å. Both Sb(2)-O(5) bond lengths are 2.46 Å. Both Sb(2)-O(6) bond lengths are 2.54 Å. In the third Sb site, Sb(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with two equivalent Sb(5)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 42-48°. Both Sb(3)-O(5) bond lengths are 1.99 Å. Both Sb(3)-O(6) bond lengths are 1.99 Å. Both Sb(3)-O(7) bond lengths are 1.96 Å. In the fourth Sb site, Sb(4) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(5)O6 octahedra, corners with two equivalent Sb(6)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-51°. The Sb(4)-O(3) bond length is 2.03 Å. The Sb(4)-O(8) bond length is 1.90 Å. Both Sb(4)-O(4) bond lengths are 1.96 Å. Both Sb(4)-O(6) bond lengths are 1.98 Å. In the fifth Sb site, Sb(5) is bonded to one O(3), one O(8), two equivalent O(1), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with two equivalent Sb(6)O6 octahedra, and edges with two equivalent Sb(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-51°. The Sb(5)-O(3) bond length is 2.08 Å. The Sb(5)-O(8) bond length is 1.93 Å. Both Sb(5)-O(1) bond lengths are 1.94 Å. Both Sb(5)-O(5) bond lengths are 2.00 Å. In the sixth Sb site, Sb(6) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(9) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. Both Sb(6)-O(1) bond lengths are 1.91 Å. Both Sb(6)-O(4) bond lengths are 1.99 Å. Both Sb(6)-O(9) bond lengths are 2.01 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sb(5) and one Sb(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1) and two equivalent Sb(2) atoms. In the third O site, O(3) is bonded to one Sb(4), one Sb(5), and two equivalent Sb(2) atoms to form distorted corner-sharing OSb4 tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(4), and one Sb(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Sb(2), one Sb(3), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Sb(2), one Sb(3), and one Sb(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to two equivalent Sb(3) atoms. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Sb(4) and one Sb(5) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Sb(1) and two equivalent Sb(6) atoms.