NbSb3O8 crystallizes in the monoclinic Pc space group. Nb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(3) atom.
NbSb3O8 crystallizes in the monoclinic Pc space group. Nb(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. The Nb(1)-O(2) bond length is 2.12 Å. The Nb(1)-O(4) bond length is 1.98 Å. The Nb(1)-O(5) bond length is 1.91 Å. The Nb(1)-O(6) bond length is 1.98 Å. The Nb(1)-O(7) bond length is 2.00 Å. The Nb(1)-O(8) bond length is 2.06 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. The Sb(1)-O(1) bond length is 2.06 Å. The Sb(1)-O(3) bond length is 2.00 Å. The Sb(1)-O(5) bond length is 1.98 Å. The Sb(1)-O(6) bond length is 1.94 Å. The Sb(1)-O(7) bond length is 1.97 Å. The Sb(1)-O(8) bond length is 1.95 Å. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. The Sb(2)-O(1) bond length is 2.18 Å. The Sb(2)-O(2) bond length is 2.02 Å. The Sb(2)-O(3) bond length is 2.02 Å. The Sb(2)-O(4) bond length is 2.28 Å. The Sb(2)-O(7) bond length is 2.60 Å. In the third Sb site, Sb(3) is bonded in a distorted pentagonal planar geometry to one O(1), one O(2), one O(3), one O(4), and one O(8) atom. The Sb(3)-O(1) bond length is 2.03 Å. The Sb(3)-O(2) bond length is 2.12 Å. The Sb(3)-O(3) bond length is 2.35 Å. The Sb(3)-O(4) bond length is 2.06 Å. The Sb(3)-O(8) bond length is 2.52 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sb(1), one Sb(2), and one Sb(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sb(2), and one Sb(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Nb(1) and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Nb(1), one Sb(1), and one Sb(3) atom.