CsPSO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), one O(2), and two equivalent O(4) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one O(1), one O(3), and one O(4) atom to form distorted corner-sharing PSO3 tetrahedra. In the second P site, P(2) is bonded to one S(2), one O(2), one O(3), and one O(4) atom to form distorted corner-sharing PSO3 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one P(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom.
CsPSO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), one O(2), and two equivalent O(4) atoms. There is one shorter (3.80 Å) and one longer (3.83 Å) Cs(1)-S(1) bond length. There is one shorter (3.78 Å) and one longer (3.91 Å) Cs(1)-S(2) bond length. The Cs(1)-O(1) bond length is 3.08 Å. The Cs(1)-O(2) bond length is 3.07 Å. There is one shorter (3.62 Å) and one longer (3.68 Å) Cs(1)-O(4) bond length. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(1), one O(3), and two equivalent O(2) atoms. There is one shorter (3.78 Å) and one longer (3.81 Å) Cs(2)-S(1) bond length. There is one shorter (3.75 Å) and one longer (3.85 Å) Cs(2)-S(2) bond length. The Cs(2)-O(1) bond length is 3.11 Å. The Cs(2)-O(3) bond length is 3.54 Å. There is one shorter (3.16 Å) and one longer (3.45 Å) Cs(2)-O(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one S(1), one O(1), one O(3), and one O(4) atom to form distorted corner-sharing PSO3 tetrahedra. The P(1)-S(1) bond length is 1.97 Å. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(3) bond length is 1.65 Å. The P(1)-O(4) bond length is 1.64 Å. In the second P site, P(2) is bonded to one S(2), one O(2), one O(3), and one O(4) atom to form distorted corner-sharing PSO3 tetrahedra. The P(2)-S(2) bond length is 1.97 Å. The P(2)-O(2) bond length is 1.50 Å. The P(2)-O(3) bond length is 1.64 Å. The P(2)-O(4) bond length is 1.65 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one P(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Cs(2), and one P(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cs(2), one P(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to two equivalent Cs(1), one P(1), and one P(2) atom.