Cs2MoO4 crystallizes in the orthorhombic Pnma 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), 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. Mo(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 1-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Mo(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 Mo(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 Mo(1) atom.
Cs2MoO4 crystallizes in the orthorhombic Pnma 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), three equivalent O(2), and six equivalent O(3) atoms. The Cs(1)-O(1) bond length is 2.98 Å. There are two shorter (3.29 Å) and one longer (3.65 Å) Cs(1)-O(2) bond length. There are two shorter (3.28 Å) and four longer (3.58 Å) Cs(1)-O(3) bond lengths. 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 (3.13 Å) Cs(2)-O(2) bond length. There is one shorter (3.35 Å) and two longer (3.58 Å) Cs(2)-O(1) bond lengths. There are two shorter (3.07 Å) and two longer (3.13 Å) Cs(2)-O(3) bond lengths. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Mo(1)-O(1) bond length is 1.76 Å. The Mo(1)-O(2) bond length is 1.77 Å. Both Mo(1)-O(3) bond lengths are 1.77 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Cs(1), three equivalent Cs(2), and one Mo(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 Mo(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 Mo(1) atom.