Cs2SO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one S(1) atom.
Cs2SO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to two equivalent O(1), three equivalent O(2), and six equivalent O(3) atoms. There is one shorter (3.20 Å) and one longer (3.64 Å) Cs(1)-O(1) bond length. There are two shorter (3.17 Å) and one longer (3.43 Å) Cs(1)-O(2) bond length. There are a spread of Cs(1)-O(3) bond distances ranging from 3.23-3.34 Å. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. There is one shorter (3.07 Å) and one longer (3.21 Å) Cs(2)-O(2) bond length. There is one shorter (3.19 Å) and two longer (3.38 Å) Cs(2)-O(1) bond lengths. There are two shorter (3.07 Å) and two longer (3.14 Å) Cs(2)-O(3) bond lengths. S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The S(1)-O(1) bond length is 1.48 Å. The S(1)-O(2) bond length is 1.49 Å. Both S(1)-O(3) bond lengths are 1.48 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), three equivalent Cs(2), and one S(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one S(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cs(2), three equivalent Cs(1), and one S(1) atom.