NaMo3P3O16 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(6), one O(8), and one O(9) atom. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(16) atom. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form MoO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(16), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(3)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(15), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(14), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-47°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mo(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Mo(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Mo(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Mo(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Mo(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom.
NaMo3P3O16 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(6), one O(8), and one O(9) atom. The Na(1)-O(12) bond length is 2.45 Å. The Na(1)-O(3) bond length is 2.33 Å. The Na(1)-O(6) bond length is 2.41 Å. The Na(1)-O(8) bond length is 2.45 Å. The Na(1)-O(9) bond length is 2.39 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share corners with two equivalent P(3)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Mo(1)-O(1) bond length is 1.67 Å. The Mo(1)-O(2) bond length is 1.99 Å. The Mo(1)-O(3) bond length is 2.03 Å. The Mo(1)-O(4) bond length is 2.05 Å. The Mo(1)-O(5) bond length is 2.01 Å. The Mo(1)-O(6) bond length is 2.19 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(16) atom. The Mo(2)-O(10) bond length is 2.34 Å. The Mo(2)-O(12) bond length is 1.66 Å. The Mo(2)-O(13) bond length is 2.01 Å. The Mo(2)-O(14) bond length is 1.98 Å. The Mo(2)-O(15) bond length is 1.97 Å. The Mo(2)-O(16) bond length is 2.01 Å. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(7), one O(8), and one O(9) atom to form MoO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. The Mo(3)-O(10) bond length is 1.72 Å. The Mo(3)-O(11) bond length is 2.04 Å. The Mo(3)-O(7) bond length is 1.66 Å. The Mo(3)-O(8) bond length is 2.00 Å. The Mo(3)-O(9) bond length is 1.99 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(13), one O(16), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mo(3)O5 trigonal bipyramids. The P(1)-O(11) bond length is 1.54 Å. The P(1)-O(13) bond length is 1.52 Å. The P(1)-O(16) bond length is 1.52 Å. The P(1)-O(9) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(15), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. The P(2)-O(15) bond length is 1.52 Å. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(3) bond length is 1.54 Å. The P(2)-O(4) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(14), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra and  a cornercorner with one Mo(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-47°. The P(3)-O(14) bond length is 1.53 Å. The P(3)-O(5) bond length is 1.54 Å. The P(3)-O(6) bond length is 1.52 Å. The P(3)-O(8) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mo(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mo(1) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Mo(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Mo(3), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Mo(3) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(3) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one Mo(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Mo(2) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom.