KSc(SO4)2 crystallizes in the trigonal P321 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent K(1) and one S(1) atom.
KSc(SO4)2 crystallizes in the trigonal P321 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. All K(1)-O(2) bond lengths are 3.09 Å. Sc(1) is bonded to six equivalent O(1) atoms to form distorted ScO6 octahedra that share corners with six equivalent S(1)O4 tetrahedra. All Sc(1)-O(1) bond lengths are 2.10 Å. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles are 33°. The S(1)-O(2) bond length is 1.46 Å. All S(1)-O(1) bond lengths are 1.49 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent K(1) and one S(1) atom.