Mo2P3O11 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom.
Mo2P3O11 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form MoO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mo(1)O6 octahedra. The Mo(1)-O(1) bond length is 1.96 Å. The Mo(1)-O(3) bond length is 2.05 Å. The Mo(1)-O(4) bond length is 1.98 Å. The Mo(1)-O(5) bond length is 2.08 Å. Both Mo(1)-O(2) bond lengths are 2.17 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.51 Å. The P(1)-O(5) bond length is 1.50 Å. The P(1)-O(6) bond length is 1.60 Å. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. Both P(2)-O(1) bond lengths are 1.53 Å. Both P(2)-O(4) bond lengths are 1.52 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mo(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom.