Mo2P3O13 crystallizes in the monoclinic Cc space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second P site, P(2) is bonded to one O(12), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. There are thirteen inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the second O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the eleventh O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the thirteenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom.
Mo2P3O13 crystallizes in the monoclinic Cc space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mo(1)-O(10) bond length is 1.70 Å. The Mo(1)-O(2) bond length is 2.24 Å. The Mo(1)-O(3) bond length is 1.99 Å. The Mo(1)-O(5) bond length is 1.97 Å. The Mo(1)-O(7) bond length is 1.95 Å. The Mo(1)-O(9) bond length is 1.98 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(13), one O(4), one O(6), and one O(8) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mo(2)-O(1) bond length is 2.06 Å. The Mo(2)-O(11) bond length is 2.06 Å. The Mo(2)-O(13) bond length is 2.08 Å. The Mo(2)-O(4) bond length is 2.23 Å. The Mo(2)-O(6) bond length is 2.07 Å. The Mo(2)-O(8) bond length is 1.69 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-47°. The P(1)-O(12) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(9) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(12), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-52°. The P(2)-O(12) bond length is 1.62 Å. The P(2)-O(13) bond length is 1.53 Å. The P(2)-O(3) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.49 Å. In the third P site, P(3) is bonded to one O(1), one O(11), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and corners with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-39°. The P(3)-O(1) bond length is 1.52 Å. The P(3)-O(11) bond length is 1.52 Å. The P(3)-O(5) bond length is 1.56 Å. The P(3)-O(7) bond length is 1.57 Å. There are thirteen inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the second O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the third O site, O(13) is bonded in a bent 120 degrees geometry to one Mo(2) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifth O site, O(2) is bonded in a distorted single-bond geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the eighth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the ninth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the eleventh O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the thirteenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom.