Li2V3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second V site, V(2) 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 VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, 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 34-55°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-59°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) 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(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the fifth P site, P(5) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom.
Li2V3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. The Li(1)-O(1) bond length is 2.07 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(8) bond length is 2.46 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. Both V(1)-O(10) bond lengths are 2.01 Å. Both V(1)-O(14) bond lengths are 1.98 Å. Both V(1)-O(8) bond lengths are 2.05 Å. In the second V site, V(2) 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 VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The V(2)-O(1) bond length is 2.03 Å. The V(2)-O(2) bond length is 2.16 Å. The V(2)-O(3) bond length is 2.07 Å. The V(2)-O(4) bond length is 2.12 Å. The V(2)-O(5) bond length is 2.01 Å. The V(2)-O(6) bond length is 1.93 Å. There are five 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(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, 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 34-55°. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(10) bond length is 1.50 Å. The P(1)-O(11) bond length is 1.60 Å. The P(1)-O(6) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-59°. The P(2)-O(12) bond length is 1.61 Å. The P(2)-O(2) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.51 Å. The P(2)-O(9) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. The P(3)-O(11) bond length is 1.60 Å. The P(3)-O(14) bond length is 1.51 Å. The P(3)-O(4) bond length is 1.53 Å. The P(3)-O(7) bond length is 1.59 Å. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), and one O(8) 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(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. The P(4)-O(12) bond length is 1.63 Å. The P(4)-O(13) bond length is 1.57 Å. The P(4)-O(3) bond length is 1.51 Å. The P(4)-O(8) bond length is 1.52 Å. In the fifth P site, P(5) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing PO6 octahedra. Both P(5)-O(13) bond lengths are 1.72 Å. Both P(5)-O(7) bond lengths are 1.73 Å. Both P(5)-O(9) bond lengths are 1.72 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom.