CsN3S2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), two equivalent S(1), and two equivalent S(2) atoms. There are three inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one S(1), and one S(2) atom. In the second N site, N(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one S(1) atom. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cs(1), one N(2), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one N(1), and one N(3) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one Cs(2), one N(2), and one N(3) atom.
CsN3S2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms. Both Cs(1)-N(1) bond lengths are 3.08 Å. Both Cs(1)-N(2) bond lengths are 3.15 Å. Both Cs(1)-N(3) bond lengths are 3.65 Å. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(3), two equivalent S(1), and two equivalent S(2) atoms. Both Cs(2)-N(1) bond lengths are 3.53 Å. Both Cs(2)-N(3) bond lengths are 3.26 Å. Both Cs(2)-S(1) bond lengths are 3.50 Å. Both Cs(2)-S(2) bond lengths are 4.07 Å. There are three inequivalent N sites. In the first N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Cs(2), one S(1), and one S(2) atom. The N(3)-S(1) bond length is 1.64 Å. The N(3)-S(2) bond length is 1.67 Å. In the second N site, N(1) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), and one S(1) atom. The N(1)-S(1) bond length is 1.49 Å. In the third N site, N(2) is bonded in a 3-coordinate geometry to one Cs(1), one N(2), and one S(2) atom. The N(2)-N(2) bond length is 1.26 Å. The N(2)-S(2) bond length is 1.72 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one N(1), and one N(3) atom. In the second S site, S(2) is bonded in a bent 120 degrees geometry to one Cs(2), one N(2), and one N(3) atom.