NaCoSO4F crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), four equivalent O(1), and one F(1) atom. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Co(1), and one S(1) atom. F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms.
NaCoSO4F crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a 7-coordinate geometry to two equivalent O(2), four equivalent O(1), and one F(1) atom. Both Na(1)-O(2) bond lengths are 2.43 Å. There are two shorter (2.52 Å) and two longer (2.84 Å) Na(1)-O(1) bond lengths. The Na(1)-F(1) bond length is 2.18 Å. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra and corners with four equivalent S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Both Co(1)-O(1) bond lengths are 2.16 Å. Both Co(1)-O(2) bond lengths are 2.18 Å. Both Co(1)-F(1) bond lengths are 1.97 Å. S(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SO4 tetrahedra that share corners with four equivalent Co(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. Both S(1)-O(1) bond lengths are 1.50 Å. Both S(1)-O(2) bond lengths are 1.49 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Co(1), and one S(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one Co(1), and one S(1) atom. F(1) is bonded in a trigonal planar geometry to one Na(1) and two equivalent Co(1) atoms.