CsMo2P3O13 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. In the second P site, P(2) is bonded to two equivalent O(6) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mo(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one P(2) atom.
CsMo2P3O13 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms. Both Cs(1)-O(2) bond lengths are 3.27 Å. Both Cs(1)-O(5) bond lengths are 3.45 Å. Both Cs(1)-O(7) bond lengths are 3.38 Å. Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. The Mo(1)-O(2) bond length is 1.71 Å. The Mo(1)-O(3) bond length is 2.20 Å. The Mo(1)-O(4) bond length is 2.08 Å. The Mo(1)-O(5) bond length is 2.10 Å. The Mo(1)-O(6) bond length is 2.03 Å. The Mo(1)-O(7) bond length is 2.04 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. The P(1)-O(1) bond length is 1.62 Å. The P(1)-O(3) bond length is 1.52 Å. The P(1)-O(4) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.53 Å. In the second P site, P(2) is bonded to two equivalent O(6) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. Both P(2)-O(6) bond lengths are 1.54 Å. Both P(2)-O(7) bond lengths are 1.54 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to one Cs(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Cs(1), one Mo(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Mo(1), and one P(2) atom.