LiVP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(5), and one O(8) atom. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(10), one O(17), and one O(3) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(14), one O(19), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. In the second V site, V(2) is bonded to one O(13), one O(15), one O(20), one O(24), one O(26), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(24), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the third P site, P(3) is bonded to one O(10), one O(16), one O(20), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. In the fourth P site, P(4) is bonded to one O(11), one O(17), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(22), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(21), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-38°. In the seventh P site, P(7) is bonded to one O(1), one O(19), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-39°. In the eighth P site, P(8) is bonded to one O(23), one O(25), one O(26), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) 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 bent 120 degrees geometry to one P(3) and one P(5) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Li(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one P(5) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom.
LiVP4O13 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(18), one O(22), one O(5), and one O(8) atom. The Li(1)-O(18) bond length is 2.06 Å. The Li(1)-O(22) bond length is 2.11 Å. The Li(1)-O(5) bond length is 2.16 Å. The Li(1)-O(8) bond length is 2.02 Å. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(10), one O(17), and one O(3) atom. The Li(2)-O(10) bond length is 1.86 Å. The Li(2)-O(17) bond length is 1.93 Å. The Li(2)-O(3) bond length is 1.93 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(12), one O(14), one O(19), one O(4), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra, and corners with two equivalent P(7)O4 tetrahedra. The V(1)-O(1) bond length is 1.87 Å. The V(1)-O(12) bond length is 1.88 Å. The V(1)-O(14) bond length is 1.84 Å. The V(1)-O(19) bond length is 1.91 Å. The V(1)-O(4) bond length is 1.90 Å. The V(1)-O(9) bond length is 1.91 Å. In the second V site, V(2) is bonded to one O(13), one O(15), one O(20), one O(24), one O(26), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(8)O4 tetrahedra. The V(2)-O(13) bond length is 1.85 Å. The V(2)-O(15) bond length is 1.88 Å. The V(2)-O(20) bond length is 1.90 Å. The V(2)-O(24) bond length is 1.93 Å. The V(2)-O(26) bond length is 1.84 Å. The V(2)-O(7) bond length is 1.91 Å. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(24), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. The P(1)-O(13) bond length is 1.57 Å. The P(1)-O(24) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.63 Å. The P(1)-O(8) bond length is 1.48 Å. In the second P site, P(2) is bonded to one O(11), one O(12), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(7)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. The P(2)-O(11) bond length is 1.62 Å. The P(2)-O(12) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.60 Å. The P(2)-O(5) bond length is 1.47 Å. In the third P site, P(3) is bonded to one O(10), one O(16), one O(20), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. The P(3)-O(10) bond length is 1.47 Å. The P(3)-O(16) bond length is 1.60 Å. The P(3)-O(20) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.59 Å. In the fourth P site, P(4) is bonded to one O(11), one O(17), one O(21), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. The P(4)-O(11) bond length is 1.60 Å. The P(4)-O(17) bond length is 1.47 Å. The P(4)-O(21) bond length is 1.60 Å. The P(4)-O(9) bond length is 1.55 Å. In the fifth P site, P(5) is bonded to one O(15), one O(16), one O(22), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. The P(5)-O(15) bond length is 1.55 Å. The P(5)-O(16) bond length is 1.62 Å. The P(5)-O(22) bond length is 1.47 Å. The P(5)-O(25) bond length is 1.60 Å. In the sixth P site, P(6) is bonded to one O(14), one O(18), one O(21), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-38°. The P(6)-O(14) bond length is 1.58 Å. The P(6)-O(18) bond length is 1.47 Å. The P(6)-O(21) bond length is 1.63 Å. The P(6)-O(4) bond length is 1.55 Å. In the seventh P site, P(7) is bonded to one O(1), one O(19), one O(2), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-39°. The P(7)-O(1) bond length is 1.57 Å. The P(7)-O(19) bond length is 1.54 Å. The P(7)-O(2) bond length is 1.66 Å. The P(7)-O(3) bond length is 1.48 Å. In the eighth P site, P(8) is bonded to one O(23), one O(25), one O(26), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. The P(8)-O(23) bond length is 1.47 Å. The P(8)-O(25) bond length is 1.66 Å. The P(8)-O(26) bond length is 1.59 Å. The P(8)-O(7) bond length is 1.54 Å. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Li(2) and one P(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Li(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) 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 bent 120 degrees geometry to one P(3) and one P(5) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Li(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Li(1) and one P(6) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one V(1) and one P(7) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one P(4) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Li(1) and one P(5) atom. In the twenty-third O site, O(23) is bonded in a single-bond geometry to one P(8) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the twenty-fifth O site, O(25) is bonded in a bent 120 degrees geometry to one P(5) and one P(8) atom. In the twenty-sixth O site, O(26) is bonded in a bent 150 degrees geometry to one V(2) and one P(8) atom.