Nb6O15F crystallizes in the orthorhombic Pmma space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form NbO5F2 pentagonal bipyramids that share corners with two equivalent Nb(1)O5F2 pentagonal bipyramids,  an edgeedge with one Nb(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 5-40°. In the third Nb site, Nb(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(8) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-40°. In the fourth Nb site, Nb(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 6-40°. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the second O site, O(8) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the third O site, O(9) is bonded in a linear geometry to two equivalent Nb(4) atoms. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1) and two equivalent Nb(2) atoms. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the sixth O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the ninth O site, O(6) is bonded in a linear geometry to two equivalent Nb(2) atoms. F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms.
Nb6O15F crystallizes in the orthorhombic Pmma space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms to form NbO5F2 pentagonal bipyramids that share corners with two equivalent Nb(1)O5F2 pentagonal bipyramids,  an edgeedge with one Nb(4)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The Nb(1)-O(1) bond length is 2.00 Å. Both Nb(1)-O(2) bond lengths are 2.05 Å. Both Nb(1)-O(3) bond lengths are 2.12 Å. Both Nb(1)-F(1) bond lengths are 1.99 Å. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 5-40°. The Nb(2)-O(1) bond length is 2.20 Å. The Nb(2)-O(2) bond length is 2.05 Å. The Nb(2)-O(4) bond length is 1.96 Å. The Nb(2)-O(5) bond length is 1.93 Å. Both Nb(2)-O(6) bond lengths are 1.99 Å. In the third Nb site, Nb(3) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(8) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(4)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-40°. The Nb(3)-O(2) bond length is 2.20 Å. The Nb(3)-O(3) bond length is 2.07 Å. The Nb(3)-O(5) bond length is 1.94 Å. The Nb(3)-O(7) bond length is 1.96 Å. Both Nb(3)-O(8) bond lengths are 1.99 Å. In the fourth Nb site, Nb(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, and  an edgeedge with one Nb(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 6-40°. Both Nb(4)-O(3) bond lengths are 2.13 Å. Both Nb(4)-O(4) bond lengths are 1.91 Å. Both Nb(4)-O(9) bond lengths are 1.99 Å. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the second O site, O(8) is bonded in a linear geometry to two equivalent Nb(3) atoms. In the third O site, O(9) is bonded in a linear geometry to two equivalent Nb(4) atoms. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1) and two equivalent Nb(2) atoms. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the sixth O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(4) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(2) and one Nb(3) atom. In the ninth O site, O(6) is bonded in a linear geometry to two equivalent Nb(2) atoms. F(1) is bonded in a linear geometry to two equivalent Nb(1) atoms.