CsLiH4S2(NO3)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), one O(2), two equivalent O(4), two equivalent O(6), and three equivalent O(5) atoms. Li(1) is bonded to one O(2), one O(3), one O(4), 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 distorted trigonal non-coplanar geometry to one Cs(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 single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom.
CsLiH4S2(NO3)2 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), one O(2), two equivalent O(4), two equivalent O(6), and three equivalent O(5) atoms. The Cs(1)-N(1) bond length is 3.57 Å. The Cs(1)-O(1) bond length is 3.57 Å. The Cs(1)-O(2) bond length is 3.21 Å. There is one shorter (3.28 Å) and one longer (3.42 Å) Cs(1)-O(4) bond length. There is one shorter (3.31 Å) and one longer (3.42 Å) Cs(1)-O(6) bond length. There are a spread of Cs(1)-O(5) bond distances ranging from 3.18-3.21 Å. Li(1) is bonded to one O(2), one O(3), one O(4), 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 2.01 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(4) bond length is 1.96 Å. The Li(1)-O(6) bond length is 1.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Cs(1), one H(1), one H(2), and one S(1) atom. The N(1)-H(1) bond length is 1.04 Å. The N(1)-H(2) bond length is 1.03 Å. The N(1)-S(1) bond length is 1.67 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 1.47 Å. The S(1)-O(2) bond length is 1.48 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 single-bond geometry to one Cs(1) and one S(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Li(1), and one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to two equivalent Cs(1), one Li(1), and one S(2) atom.