KLiH4S2(NO3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent S(1)NO3 tetrahedra and corners with two equivalent S(2)NO3 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one H(1), one H(2), and one S(1) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one H(3), one H(4), and one S(2) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. In the second S site, S(2) is bonded to one N(2), one O(4), one O(5), and one O(6) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(2) atom.
KLiH4S2(NO3)2 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 9-coordinate geometry to one N(1), one O(2), one O(5), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. The K(1)-N(1) bond length is 2.94 Å. The K(1)-O(2) bond length is 3.05 Å. The K(1)-O(5) bond length is 3.05 Å. There is one shorter (2.71 Å) and one longer (2.88 Å) K(1)-O(1) bond length. There is one shorter (2.89 Å) and one longer (3.17 Å) K(1)-O(4) bond length. There is one shorter (2.84 Å) and one longer (3.37 Å) K(1)-O(6) bond length. Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent S(1)NO3 tetrahedra and corners with two equivalent S(2)NO3 tetrahedra. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(5) bond length is 1.97 Å. The Li(1)-O(6) bond length is 1.97 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one K(1), one H(1), one H(2), and one S(1) atom. The N(1)-H(1) bond length is 1.03 Å. The N(1)-H(2) bond length is 1.03 Å. The N(1)-S(1) bond length is 1.66 Å. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one H(3), one H(4), and one S(2) atom. The N(2)-H(3) bond length is 1.03 Å. The N(2)-H(4) bond length is 1.03 Å. The N(2)-S(2) bond length is 1.67 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one N(1), one O(1), one O(2), and one O(3) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. The S(1)-O(1) bond length is 1.46 Å. The S(1)-O(2) bond length is 1.47 Å. The S(1)-O(3) bond length is 1.48 Å. In the second S site, S(2) is bonded to one N(2), one O(4), one O(5), and one O(6) atom to form SNO3 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. The S(2)-O(4) bond length is 1.47 Å. The S(2)-O(5) bond length is 1.47 Å. The S(2)-O(6) bond length is 1.47 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one S(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one K(1), one Li(1), and one S(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one S(2) atom.