Cs(MoO3)3 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(1) is bonded to one Cs(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCsMo3 tetrahedra. In the third O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Cs(1) and one Mo(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms.
Cs(MoO3)3 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), and four equivalent O(2) atoms. The Cs(1)-O(4) bond length is 2.98 Å. The Cs(1)-O(5) bond length is 3.21 Å. Both Cs(1)-O(1) bond lengths are 3.30 Å. There are two shorter (3.28 Å) and two longer (3.33 Å) Cs(1)-O(2) bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(6), one O(7), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 1-22°. The Mo(1)-O(2) bond length is 1.72 Å. The Mo(1)-O(3) bond length is 1.91 Å. The Mo(1)-O(6) bond length is 1.91 Å. The Mo(1)-O(7) bond length is 2.08 Å. There is one shorter (2.11 Å) and one longer (2.33 Å) Mo(1)-O(1) bond length. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(1), and two equivalent O(7) atoms. The Mo(2)-O(4) bond length is 1.73 Å. The Mo(2)-O(5) bond length is 1.73 Å. Both Mo(2)-O(1) bond lengths are 1.97 Å. There is one shorter (2.42 Å) and one longer (2.43 Å) Mo(2)-O(7) bond length. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(1) is bonded to one Cs(1), one Mo(2), and two equivalent Mo(1) atoms to form a mixture of distorted corner and edge-sharing OCsMo3 tetrahedra. In the third O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one Mo(1) atom. In the fourth O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Cs(1) and one Mo(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one Cs(1) and one Mo(2) atom. In the seventh O site, O(6) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms.