Mo2(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(20), one O(24), one O(4), one O(5), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mo site, Mo(2) is bonded to one O(12), one O(14), one O(17), one O(22), one O(6), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Mo site, Mo(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(21), and one O(3) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(13), one O(18), one O(2), one O(23), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(18), one O(21), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. In the third P site, P(3) is bonded to one O(17), one O(19), one O(20), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. In the fifth P site, P(5) is bonded to one O(11), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. In the sixth P site, P(6) is bonded to one O(2), one O(22), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(1) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom.
Mo2(PO4)3 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(20), one O(24), one O(4), one O(5), and one O(8) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mo(1)-O(10) bond length is 1.97 Å. The Mo(1)-O(20) bond length is 1.98 Å. The Mo(1)-O(24) bond length is 1.96 Å. The Mo(1)-O(4) bond length is 1.93 Å. The Mo(1)-O(5) bond length is 1.99 Å. The Mo(1)-O(8) bond length is 1.95 Å. In the second Mo site, Mo(2) is bonded to one O(12), one O(14), one O(17), one O(22), one O(6), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mo(2)-O(12) bond length is 1.99 Å. The Mo(2)-O(14) bond length is 1.95 Å. The Mo(2)-O(17) bond length is 1.96 Å. The Mo(2)-O(22) bond length is 2.00 Å. The Mo(2)-O(6) bond length is 1.93 Å. The Mo(2)-O(9) bond length is 1.97 Å. In the third Mo site, Mo(3) is bonded to one O(11), one O(15), one O(16), one O(19), one O(21), and one O(3) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mo(3)-O(11) bond length is 1.94 Å. The Mo(3)-O(15) bond length is 1.98 Å. The Mo(3)-O(16) bond length is 1.98 Å. The Mo(3)-O(19) bond length is 1.96 Å. The Mo(3)-O(21) bond length is 1.93 Å. The Mo(3)-O(3) bond length is 1.97 Å. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(13), one O(18), one O(2), one O(23), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The Mo(4)-O(1) bond length is 1.96 Å. The Mo(4)-O(13) bond length is 1.95 Å. The Mo(4)-O(18) bond length is 2.00 Å. The Mo(4)-O(2) bond length is 1.96 Å. The Mo(4)-O(23) bond length is 1.98 Å. The Mo(4)-O(7) bond length is 1.99 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(18), one O(21), one O(24), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. The P(1)-O(18) bond length is 1.51 Å. The P(1)-O(21) bond length is 1.53 Å. The P(1)-O(24) bond length is 1.52 Å. The P(1)-O(9) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. The P(2)-O(10) bond length is 1.52 Å. The P(2)-O(13) bond length is 1.53 Å. The P(2)-O(14) bond length is 1.52 Å. The P(2)-O(16) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(17), one O(19), one O(20), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. The P(3)-O(17) bond length is 1.53 Å. The P(3)-O(19) bond length is 1.52 Å. The P(3)-O(20) bond length is 1.52 Å. The P(3)-O(23) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(1), one O(12), one O(15), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-31°. The P(4)-O(1) bond length is 1.52 Å. The P(4)-O(12) bond length is 1.51 Å. The P(4)-O(15) bond length is 1.52 Å. The P(4)-O(8) bond length is 1.54 Å. In the fifth P site, P(5) is bonded to one O(11), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-31°. The P(5)-O(11) bond length is 1.53 Å. The P(5)-O(5) bond length is 1.52 Å. The P(5)-O(6) bond length is 1.53 Å. The P(5)-O(7) bond length is 1.51 Å. In the sixth P site, P(6) is bonded to one O(2), one O(22), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, and  a cornercorner with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. The P(6)-O(2) bond length is 1.53 Å. The P(6)-O(22) bond length is 1.51 Å. The P(6)-O(3) bond length is 1.52 Å. The P(6)-O(4) bond length is 1.53 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(1) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mo(3) and one P(1) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(2) and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mo(4) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mo(1) and one P(1) atom.