SrNb2CuO6F crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form a mixture of face and corner-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. Cu(1) is bonded to four equivalent O(1) atoms to form distorted corner-sharing CuO4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Cu(1) atoms. 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.
SrNb2CuO6F crystallizes in the tetragonal I-4m2 space group. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent F(1) atoms to form a mixture of face and corner-sharing SrO8F4 cuboctahedra. All Sr(1)-O(2) bond lengths are 2.71 Å. All Sr(1)-O(3) bond lengths are 2.73 Å. All Sr(1)-F(1) bond lengths are 2.73 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 1.83 Å. Both Nb(1)-O(2) bond lengths are 2.01 Å. Both Nb(1)-O(3) bond lengths are 2.00 Å. The Nb(1)-F(1) bond length is 2.47 Å. Cu(1) is bonded to four equivalent O(1) atoms to form distorted corner-sharing CuO4 trigonal pyramids. All Cu(1)-O(1) bond lengths are 2.12 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1) and two equivalent Cu(1) atoms. 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.