LiKSO4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four 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 four equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one S(1) atom.
LiKSO4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. All K(1)-O(2) bond lengths are 3.02 Å. There are three shorter (2.89 Å) and three longer (2.99 Å) K(1)-O(1) bond lengths. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent S(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.95 Å. All Li(1)-O(1) bond lengths are 1.96 Å. S(1) is bonded to one O(2) and three equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra. The S(1)-O(2) bond length is 1.49 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 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one S(1) atom.