LiSrNb2O6F crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted corner-sharing LiO4 tetrahedra. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form a mixture of corner and face-sharing SrO8F4 cuboctahedra. Nb(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. F(1) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing FSr4Nb2 octahedra. The corner-sharing octahedra are not tilted.
LiSrNb2O6F crystallizes in the tetragonal I-4m2 space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted corner-sharing LiO4 tetrahedra. All Li(1)-O(1) bond lengths are 2.16 Å. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form a mixture of corner and face-sharing SrO8F4 cuboctahedra. All Sr(1)-O(2) bond lengths are 2.74 Å. All Sr(1)-O(3) bond lengths are 2.73 Å. All Sr(1)-F(1) bond lengths are 2.74 Å. Nb(1) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and one F(1) atom. The Nb(1)-O(1) bond length is 1.80 Å. Both Nb(1)-O(2) bond lengths are 2.01 Å. Both Nb(1)-O(3) bond lengths are 2.01 Å. The Nb(1)-F(1) bond length is 2.46 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. F(1) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing FSr4Nb2 octahedra. The corner-sharing octahedra are not tilted.