CsSO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(8), two equivalent O(3), two equivalent O(5), and three equivalent O(6) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(5), two equivalent O(7), two equivalent O(8), and three equivalent O(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(2) and one S(1) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(2) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one S(1) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(2) and one S(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. In the eighth O site, O(4) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom.
CsSO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(1), one O(4), one O(8), two equivalent O(3), two equivalent O(5), and three equivalent O(6) atoms. The Cs(1)-O(1) bond length is 3.27 Å. The Cs(1)-O(4) bond length is 3.23 Å. The Cs(1)-O(8) bond length is 3.32 Å. There is one shorter (3.35 Å) and one longer (3.42 Å) Cs(1)-O(3) bond length. There is one shorter (3.24 Å) and one longer (3.36 Å) Cs(1)-O(5) bond length. There are a spread of Cs(1)-O(6) bond distances ranging from 3.17-3.34 Å. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), one O(5), two equivalent O(7), two equivalent O(8), and three equivalent O(2) atoms. The Cs(2)-O(1) bond length is 3.30 Å. The Cs(2)-O(5) bond length is 3.35 Å. There is one shorter (3.30 Å) and one longer (3.47 Å) Cs(2)-O(7) bond length. There is one shorter (3.23 Å) and one longer (3.24 Å) Cs(2)-O(8) bond length. There are a spread of Cs(2)-O(2) bond distances ranging from 3.24-3.34 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(5), and one O(7) atom. The S(1)-O(1) bond length is 1.49 Å. The S(1)-O(2) bond length is 1.48 Å. The S(1)-O(5) bond length is 1.48 Å. The S(1)-O(7) bond length is 1.50 Å. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(6), and one O(8) atom. The S(2)-O(3) bond length is 1.51 Å. The S(2)-O(4) bond length is 1.50 Å. The S(2)-O(6) bond length is 1.48 Å. The S(2)-O(8) bond length is 1.47 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Cs(2), two equivalent Cs(1), and one S(1) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one S(2) atom. In the third O site, O(7) is bonded in a single-bond geometry to two equivalent Cs(2) and one S(1) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one S(2) atom. In the fifth O site, O(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one S(1) atom. In the sixth O site, O(2) is bonded in a single-bond geometry to three equivalent Cs(2) and one S(1) atom. In the seventh O site, O(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one S(2) atom. In the eighth O site, O(4) is bonded in a single-bond geometry to one Cs(1) and one S(2) atom.