Cs2MoO8 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(2), one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(1), and two equivalent O(7) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Mo(1) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(4) atom. In the second O site, O(7) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Mo(1), and one O(3) atom. In the third O site, O(8) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(2) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Mo(1), and one O(5) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(8) atom. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(7) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(6) atom. In the eighth O site, O(5) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(1) atom.
Cs2MoO8 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(2), one O(3), one O(4), one O(5), one O(6), one O(8), two equivalent O(1), and two equivalent O(7) atoms. The Cs(1)-O(2) bond length is 3.19 Å. The Cs(1)-O(3) bond length is 3.58 Å. The Cs(1)-O(4) bond length is 3.09 Å. The Cs(1)-O(5) bond length is 3.15 Å. The Cs(1)-O(6) bond length is 3.47 Å. The Cs(1)-O(8) bond length is 3.10 Å. There is one shorter (3.38 Å) and one longer (3.52 Å) Cs(1)-O(1) bond length. There is one shorter (3.19 Å) and one longer (3.40 Å) Cs(1)-O(7) bond length. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. The Cs(2)-O(1) bond length is 3.12 Å. The Cs(2)-O(2) bond length is 3.25 Å. The Cs(2)-O(4) bond length is 3.10 Å. The Cs(2)-O(7) bond length is 3.32 Å. The Cs(2)-O(8) bond length is 3.06 Å. There is one shorter (3.17 Å) and one longer (3.39 Å) Cs(2)-O(3) bond length. There is one shorter (3.25 Å) and one longer (3.29 Å) Cs(2)-O(5) bond length. There is one shorter (3.34 Å) and one longer (3.37 Å) Cs(2)-O(6) bond length. Mo(1) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Mo(1)-O(1) bond length is 2.00 Å. The Mo(1)-O(2) bond length is 2.00 Å. The Mo(1)-O(3) bond length is 2.01 Å. The Mo(1)-O(4) bond length is 2.00 Å. The Mo(1)-O(5) bond length is 2.01 Å. The Mo(1)-O(6) bond length is 2.01 Å. The Mo(1)-O(7) bond length is 2.01 Å. The Mo(1)-O(8) bond length is 2.00 Å. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(4) atom. The O(6)-O(4) bond length is 1.49 Å. In the second O site, O(7) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Mo(1), and one O(3) atom. The O(7)-O(3) bond length is 1.49 Å. In the third O site, O(8) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(2) atom. The O(8)-O(2) bond length is 1.48 Å. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to one Cs(2), two equivalent Cs(1), one Mo(1), and one O(5) atom. The O(1)-O(5) bond length is 1.49 Å. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(8) atom. In the sixth O site, O(3) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(7) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Mo(1), and one O(6) atom. In the eighth O site, O(5) is bonded in a 5-coordinate geometry to one Cs(1), two equivalent Cs(2), one Mo(1), and one O(1) atom.