VO(PO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(13), one O(23), one O(27), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one O(11), one O(15), one O(22), one O(25), one O(26), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In the third V site, V(3) is bonded to one O(12), one O(21), one O(24), one O(27), one O(7), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth V site, V(4) is bonded to one O(14), one O(18), one O(19), one O(28), one O(4), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(20), one O(24), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the second P site, P(2) is bonded to one O(12), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(16), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-42°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(21), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-42°. In the fifth P site, P(5) is bonded to one O(15), one O(17), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-41°. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(19), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. In the seventh P site, P(7) is bonded to one O(2), one O(23), one O(28), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the eighth P site, P(8) is bonded to one O(16), one O(26), one O(27), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one V(3) and one P(8) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to one V(4) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(4) and one P(7) atom.
VO(PO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(13), one O(23), one O(27), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The V(1)-O(10) bond length is 2.03 Å. The V(1)-O(13) bond length is 1.94 Å. The V(1)-O(23) bond length is 1.94 Å. The V(1)-O(27) bond length is 2.09 Å. The V(1)-O(6) bond length is 1.82 Å. The V(1)-O(8) bond length is 2.01 Å. In the second V site, V(2) is bonded to one O(11), one O(15), one O(22), one O(25), one O(26), and one O(4) atom to form VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The V(2)-O(11) bond length is 1.94 Å. The V(2)-O(15) bond length is 1.81 Å. The V(2)-O(22) bond length is 1.94 Å. The V(2)-O(25) bond length is 2.01 Å. The V(2)-O(26) bond length is 2.02 Å. The V(2)-O(4) bond length is 2.10 Å. In the third V site, V(3) is bonded to one O(12), one O(21), one O(24), one O(27), one O(7), and one O(9) atom to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The V(3)-O(12) bond length is 1.97 Å. The V(3)-O(21) bond length is 1.97 Å. The V(3)-O(24) bond length is 1.86 Å. The V(3)-O(27) bond length is 2.42 Å. The V(3)-O(7) bond length is 1.85 Å. The V(3)-O(9) bond length is 1.90 Å. In the fourth V site, V(4) is bonded to one O(14), one O(18), one O(19), one O(28), one O(4), and one O(5) atom to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, and  an edgeedge with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. The V(4)-O(14) bond length is 1.97 Å. The V(4)-O(18) bond length is 1.85 Å. The V(4)-O(19) bond length is 1.90 Å. The V(4)-O(28) bond length is 1.97 Å. The V(4)-O(4) bond length is 2.39 Å. The V(4)-O(5) bond length is 1.86 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(20), one O(24), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-42°. The P(1)-O(20) bond length is 1.64 Å. The P(1)-O(24) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.47 Å. The P(1)-O(6) bond length is 1.59 Å. In the second P site, P(2) is bonded to one O(12), one O(18), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. The P(2)-O(12) bond length is 1.51 Å. The P(2)-O(18) bond length is 1.56 Å. The P(2)-O(20) bond length is 1.59 Å. The P(2)-O(22) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(11), one O(14), one O(16), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-42°. The P(3)-O(11) bond length is 1.54 Å. The P(3)-O(14) bond length is 1.53 Å. The P(3)-O(16) bond length is 1.62 Å. The P(3)-O(25) bond length is 1.52 Å. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(21), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-42°. The P(4)-O(1) bond length is 1.62 Å. The P(4)-O(13) bond length is 1.54 Å. The P(4)-O(21) bond length is 1.53 Å. The P(4)-O(8) bond length is 1.52 Å. In the fifth P site, P(5) is bonded to one O(15), one O(17), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-41°. The P(5)-O(15) bond length is 1.59 Å. The P(5)-O(17) bond length is 1.47 Å. The P(5)-O(2) bond length is 1.64 Å. The P(5)-O(5) bond length is 1.55 Å. In the sixth P site, P(6) is bonded to one O(1), one O(10), one O(19), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  an edgeedge with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. The P(6)-O(1) bond length is 1.59 Å. The P(6)-O(10) bond length is 1.51 Å. The P(6)-O(19) bond length is 1.56 Å. The P(6)-O(4) bond length is 1.56 Å. In the seventh P site, P(7) is bonded to one O(2), one O(23), one O(28), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-39°. The P(7)-O(2) bond length is 1.59 Å. The P(7)-O(23) bond length is 1.52 Å. The P(7)-O(28) bond length is 1.51 Å. The P(7)-O(7) bond length is 1.56 Å. In the eighth P site, P(8) is bonded to one O(16), one O(26), one O(27), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. The P(8)-O(16) bond length is 1.59 Å. The P(8)-O(26) bond length is 1.51 Å. The P(8)-O(27) bond length is 1.56 Å. The P(8)-O(9) bond length is 1.56 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(5) and one P(7) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one P(7) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one V(3) and one P(8) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(3) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(4) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one P(3) and one P(8) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one V(4) and one P(2) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to one V(4) and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(8) atom. In the twenty-seventh O site, O(27) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one V(4) and one P(7) atom.