NaMo2P3O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), 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. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(3) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-51°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(7) 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 15-51°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) 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(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Na(1) and one Mo(1) atom.
NaMo2P3O13 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), and one O(6) atom. The Na(1)-O(1) bond length is 2.47 Å. The Na(1)-O(13) bond length is 2.41 Å. The Na(1)-O(4) bond length is 2.56 Å. The Na(1)-O(6) bond length is 2.60 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(12), one O(13), one O(4), one O(5), and one O(6) atom to form distorted MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. The Mo(1)-O(11) bond length is 2.07 Å. The Mo(1)-O(12) bond length is 2.12 Å. The Mo(1)-O(13) bond length is 1.72 Å. The Mo(1)-O(4) bond length is 2.08 Å. The Mo(1)-O(5) bond length is 2.05 Å. The Mo(1)-O(6) bond length is 2.04 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), 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(2)-O(1) bond length is 2.25 Å. The Mo(2)-O(10) bond length is 2.06 Å. The Mo(2)-O(2) bond length is 2.07 Å. The Mo(2)-O(7) bond length is 2.05 Å. The Mo(2)-O(8) bond length is 1.70 Å. The Mo(2)-O(9) bond length is 2.08 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), and one O(3) 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-51°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(11) bond length is 1.52 Å. The P(1)-O(3) bond length is 1.63 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(2)O6 octahedra and corners with three equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-48°. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(9) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(12), one O(2), one O(3), and one O(7) 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 15-51°. The P(3)-O(12) bond length is 1.50 Å. The P(3)-O(2) bond length is 1.54 Å. The P(3)-O(3) bond length is 1.64 Å. The P(3)-O(7) bond length is 1.53 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Mo(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) 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(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Mo(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Mo(1) and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Mo(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Na(1) and one Mo(1) atom.