K3SO4F crystallizes in the tetragonal I4/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to six equivalent O(1) and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 10-coordinate geometry to eight equivalent O(1) and two equivalent F(1) atoms. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(2), three equivalent K(1), and one S(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°.
K3SO4F crystallizes in the tetragonal I4/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to six equivalent O(1) and two equivalent F(1) atoms. There are two shorter (2.75 Å) and four longer (3.02 Å) K(1)-O(1) bond lengths. Both K(1)-F(1) bond lengths are 2.68 Å. In the second K site, K(2) is bonded in a 10-coordinate geometry to eight equivalent O(1) and two equivalent F(1) atoms. All K(2)-O(1) bond lengths are 3.09 Å. Both K(2)-F(1) bond lengths are 2.77 Å. S(1) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All S(1)-O(1) bond lengths are 1.50 Å. O(1) is bonded in a distorted single-bond geometry to two equivalent K(2), three equivalent K(1), and one S(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles range from 0-26°.