Mo3PbP2O14 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(7), and two equivalent O(9) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(8), and two equivalent O(9) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(5), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. In the second P site, P(2) is bonded to one O(11), one O(2), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 38°. There are eleven inequivalent O sites. In the first O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Pb(1) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(1) atom. In the third O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one P(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one Mo(1) and one Pb(1) atom. In the fifth O site, O(2) is bonded in a linear geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one P(1) atom. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one Mo(2) and one Pb(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(8) is bonded in a 2-coordinate geometry to one Mo(2), one Pb(1), and one P(2) atom.
Mo3PbP2O14 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms. The Mo(1)-O(1) bond length is 1.73 Å. The Mo(1)-O(2) bond length is 2.08 Å. The Mo(1)-O(4) bond length is 1.94 Å. The Mo(1)-O(5) bond length is 2.45 Å. Both Mo(1)-O(3) bond lengths are 2.06 Å. In the second Mo site, Mo(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The Mo(2)-O(4) bond length is 1.99 Å. The Mo(2)-O(5) bond length is 2.32 Å. The Mo(2)-O(6) bond length is 1.73 Å. The Mo(2)-O(7) bond length is 2.00 Å. Both Mo(2)-O(8) bond lengths are 2.07 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(7), and two equivalent O(9) atoms to form MoO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. The Mo(3)-O(10) bond length is 2.03 Å. The Mo(3)-O(11) bond length is 2.04 Å. The Mo(3)-O(7) bond length is 1.87 Å. Both Mo(3)-O(9) bond lengths are 1.76 Å. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(8), and two equivalent O(9) atoms. The Pb(1)-O(1) bond length is 2.73 Å. The Pb(1)-O(6) bond length is 2.56 Å. Both Pb(1)-O(8) bond lengths are 2.72 Å. Both Pb(1)-O(9) bond lengths are 2.53 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(5), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 46°. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.55 Å. Both P(1)-O(3) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(11), one O(2), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mo(2)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 38°. The P(2)-O(11) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.53 Å. Both P(2)-O(8) bond lengths are 1.56 Å. There are eleven inequivalent O sites. In the first O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one Pb(1) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(1) atom. In the third O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Mo(3) and one P(2) atom. In the fourth O site, O(1) is bonded in a single-bond geometry to one Mo(1) and one Pb(1) atom. In the fifth O site, O(2) is bonded in a linear geometry to one Mo(1) and one P(2) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Mo(2) atom. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), and one P(1) atom. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one Mo(2) and one Pb(1) atom. In the tenth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(8) is bonded in a 2-coordinate geometry to one Mo(2), one Pb(1), and one P(2) atom.