Cs3SbH2S4O crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(1), two equivalent H(2), one S(3), two equivalent S(1), two equivalent S(2), two equivalent S(4), and one O(1) atom. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one H(1), one S(1), two equivalent S(2), two equivalent S(3), two equivalent S(4), and one O(1) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one H(2), one S(1), one S(4), two equivalent S(3), and two equivalent O(1) atoms. Sb(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(3), two equivalent Cs(1), and one O(1) atom. There are four inequivalent S sites. In the first S site, S(3) is bonded to one Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sb(1) atom to form edge-sharing SCs5Sb octahedra. In the second S site, S(4) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. In the third S site, S(1) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and one Sb(1) atom. In the fourth S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. O(1) is bonded in a water-like geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one H(1), and one H(2) atom.
Cs3SbH2S4O crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one H(1), two equivalent H(2), one S(3), two equivalent S(1), two equivalent S(2), two equivalent S(4), and one O(1) atom. The Cs(1)-H(1) bond length is 3.50 Å. There is one shorter (3.35 Å) and one longer (3.43 Å) Cs(1)-H(2) bond length. The Cs(1)-S(3) bond length is 3.60 Å. There is one shorter (3.63 Å) and one longer (3.80 Å) Cs(1)-S(1) bond length. There is one shorter (3.65 Å) and one longer (3.79 Å) Cs(1)-S(2) bond length. There is one shorter (3.83 Å) and one longer (3.85 Å) Cs(1)-S(4) bond length. The Cs(1)-O(1) bond length is 3.53 Å. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one H(1), one S(1), two equivalent S(2), two equivalent S(3), two equivalent S(4), and one O(1) atom. The Cs(2)-H(1) bond length is 3.29 Å. The Cs(2)-S(1) bond length is 3.86 Å. There is one shorter (3.73 Å) and one longer (3.80 Å) Cs(2)-S(2) bond length. There is one shorter (3.68 Å) and one longer (3.73 Å) Cs(2)-S(3) bond length. There is one shorter (3.82 Å) and one longer (4.00 Å) Cs(2)-S(4) bond length. The Cs(2)-O(1) bond length is 3.45 Å. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one H(2), one S(1), one S(4), two equivalent S(3), and two equivalent O(1) atoms. The Cs(3)-H(2) bond length is 3.33 Å. The Cs(3)-S(1) bond length is 3.59 Å. The Cs(3)-S(4) bond length is 3.76 Å. There is one shorter (3.47 Å) and one longer (3.55 Å) Cs(3)-S(3) bond length. There is one shorter (3.32 Å) and one longer (3.43 Å) Cs(3)-O(1) bond length. Sb(1) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. The Sb(1)-S(1) bond length is 2.37 Å. The Sb(1)-S(2) bond length is 2.37 Å. The Sb(1)-S(3) bond length is 2.37 Å. The Sb(1)-S(4) bond length is 2.35 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one O(1) atom. The H(1)-O(1) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one Cs(3), two equivalent Cs(1), and one O(1) atom. The H(2)-O(1) bond length is 0.99 Å. There are four inequivalent S sites. In the first S site, S(3) is bonded to one Cs(1), two equivalent Cs(2), two equivalent Cs(3), and one Sb(1) atom to form edge-sharing SCs5Sb octahedra. In the second S site, S(4) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. In the third S site, S(1) is bonded in a 1-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), and one Sb(1) atom. In the fourth S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one Sb(1) atom. O(1) is bonded in a water-like geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one H(1), and one H(2) atom.