Li3VP2HO8 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13,14); one O(17); one O(21); one O(25); one O(29); and one O(9,10) atom to form LiO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra; corners with two equivalent P(5)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one V(2)O6 octahedra; and  an edgeedge with one V(3)O6 octahedra. In the second Li site, Li(2) is bonded to one O(13,14); one O(18); one O(22); one O(26); one O(30); and one O(9,10) atom to form LiO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra; corners with two equivalent P(6)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one V(1)O6 octahedra; and  an edgeedge with one V(4)O6 octahedra. In the third Li site, Li(3) is bonded to one O(12), one O(16), one O(19), one O(23), one O(27), and one O(31) atom to form LiO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. In the fourth Li site, Li(4) is bonded to one O(11), one O(15), one O(20), one O(24), one O(28), and one O(32) atom to form LiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(22); one O(25); one O(4); and one O(9,10) atom. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(21); one O(26); one O(3); and one O(9,10) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(24), and one O(27) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(12), one O(2), one O(23), and one O(28) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(13,14); one O(18); one O(29); and one O(7) atom. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(13,14); one O(17); one O(30); and one O(8) atom. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(31), and one O(6) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(16), one O(19), one O(32), and one O(5) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(18), one O(24), one O(28), one O(30), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(7)O4 tetrahedra; corners with two equivalent P(8)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one Li(2)O6 octahedra; and  an edgeedge with one Li(4)O6 octahedra. In the second V site, V(2) is bonded to one O(20), one O(21), one O(25), one O(3), one O(32), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. In the third V site, V(3) is bonded to one O(17), one O(2), one O(23), one O(27), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(8)O4 tetrahedra; corners with two equivalent P(7)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one Li(1)O6 octahedra; and  an edgeedge with one Li(3)O6 octahedra. In the fourth V site, V(4) is bonded to one O(19), one O(22), one O(26), one O(31), one O(4), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Li(3)O6 octahedra. There are seven inequivalent P sites. In the first P site, P(1,2) is bonded to one O(1); one O(17); one O(29); and one O(9,10) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the second P site, P(3) is bonded to one O(11), one O(19), one O(3), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the third P site, P(4) is bonded to one O(12), one O(20), one O(32), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the fourth P site, P(5) is bonded to one O(13,14); one O(21); one O(25); and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the fifth P site, P(6) is bonded to one O(13,14); one O(22); one O(26); and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the sixth P site, P(7) is bonded to one O(15), one O(23), one O(27), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. In the seventh P site, P(8) is bonded to one O(16), one O(24), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(13,14) and one O(9,10) atom. In the second H site, H(2) is bonded in a linear geometry to one O(13,14) and one O(9,10) atom. In the third H site, H(3) is bonded in a linear geometry to one O(12) and one O(15) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(11) and one O(16) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7); one V(1); and one P(1,2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(8); one V(3); and one P(1,2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(6), one V(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(12), one V(4), and one P(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(11), one V(2), and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(9), one V(1), and one P(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(10), one V(3), and one P(8) atom. In the ninth O site, O(9,10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2); one Li(5); one P(1,2); and one H(2) atom. In the tenth O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one P(3), and one H(4) atom. In the eleventh O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(8), one P(4), and one H(3) atom. In the twelfth O site, O(13,14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(9), one P(5), and one H(1) atom. In the thirteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(11), one Li(4), one P(7), and one H(3) atom. In the fourteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(12), one Li(3), one P(8), and one H(4) atom. In the fifteenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1); one Li(10); one V(3); and one P(1,2) atom. In the sixteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2); one Li(9); one V(1); and one P(1,2) atom. In the seventeenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(12), one Li(3), one V(4), and one P(3) atom. In the eighteenth O site, O(20) is bonded in a 4-coordinate geometry to one Li(11), one Li(4), one V(2), and one P(4) atom. In the nineteenth O site, O(21) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one V(2), and one P(5) atom. In the twentieth O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(4), and one P(6) atom. In the twenty-first O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one V(3), and one P(7) atom. In the twenty-second O site, O(24) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one V(1), and one P(8) atom. In the twenty-third O site, O(25) is bonded to one Li(1), one Li(5), one V(2), and one P(5) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-fourth O site, O(26) is bonded to one Li(2), one Li(6), one V(4), and one P(6) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-fifth O site, O(27) is bonded to one Li(3), one Li(7), one V(3), and one P(7) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-sixth O site, O(28) is bonded to one Li(4), one Li(8), one V(1), and one P(8) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-seventh O site, O(29) is bonded to one Li(1); one Li(9); one V(3); and one P(1,2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-eighth O site, O(30) is bonded to one Li(10); one Li(2); one V(1); and one P(1,2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-ninth O site, O(31) is bonded to one Li(11), one Li(3), one V(4), and one P(3) atom to form distorted corner-sharing OLi2VP tetrahedra. In the thirtieth O site, O(32) is bonded to one Li(12), one Li(4), one V(2), and one P(4) atom to form distorted corner-sharing OLi2VP tetrahedra.
Li3VP2HO8 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13,14); one O(17); one O(21); one O(25); one O(29); and one O(9,10) atom to form LiO6 octahedra that share  a cornercorner with one P(6)O4 tetrahedra; corners with two equivalent P(5)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one V(2)O6 octahedra; and  an edgeedge with one V(3)O6 octahedra. The Li(1)-O(13,14) bond length is 2.26 Å. The Li(1)-O(17) bond length is 2.14 Å. The Li(1)-O(21) bond length is 2.14 Å. The Li(1)-O(25) bond length is 2.26 Å. The Li(1)-O(29) bond length is 2.26 Å. The Li(1)-O(9,10) bond length is 2.25 Å. In the second Li site, Li(2) is bonded to one O(13,14); one O(18); one O(22); one O(26); one O(30); and one O(9,10) atom to form LiO6 octahedra that share  a cornercorner with one P(5)O4 tetrahedra; corners with two equivalent P(6)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one V(1)O6 octahedra; and  an edgeedge with one V(4)O6 octahedra. The Li(2)-O(13,14) bond length is 2.26 Å. The Li(2)-O(18) bond length is 2.14 Å. The Li(2)-O(22) bond length is 2.14 Å. The Li(2)-O(26) bond length is 2.26 Å. The Li(2)-O(30) bond length is 2.26 Å. The Li(2)-O(9,10) bond length is 2.25 Å. In the third Li site, Li(3) is bonded to one O(12), one O(16), one O(19), one O(23), one O(27), and one O(31) atom to form LiO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(8)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(7)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(4)O6 octahedra. The Li(3)-O(12) bond length is 2.26 Å. The Li(3)-O(16) bond length is 2.25 Å. The Li(3)-O(19) bond length is 2.14 Å. The Li(3)-O(23) bond length is 2.14 Å. The Li(3)-O(27) bond length is 2.26 Å. The Li(3)-O(31) bond length is 2.26 Å. In the fourth Li site, Li(4) is bonded to one O(11), one O(15), one O(20), one O(24), one O(28), and one O(32) atom to form LiO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(7)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(8)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The Li(4)-O(11) bond length is 2.26 Å. The Li(4)-O(15) bond length is 2.25 Å. The Li(4)-O(20) bond length is 2.14 Å. The Li(4)-O(24) bond length is 2.14 Å. The Li(4)-O(28) bond length is 2.26 Å. The Li(4)-O(32) bond length is 2.26 Å. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(22); one O(25); one O(4); and one O(9,10) atom. The Li(5)-O(22) bond length is 2.46 Å. The Li(5)-O(25) bond length is 1.98 Å. The Li(5)-O(4) bond length is 1.97 Å. The Li(5)-O(9,10) bond length is 2.03 Å. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one O(21); one O(26); one O(3); and one O(9,10) atom. The Li(6)-O(21) bond length is 2.46 Å. The Li(6)-O(26) bond length is 1.98 Å. The Li(6)-O(3) bond length is 1.97 Å. The Li(6)-O(9,10) bond length is 2.03 Å. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(1), one O(11), one O(24), and one O(27) atom. The Li(7)-O(1) bond length is 1.96 Å. The Li(7)-O(11) bond length is 2.02 Å. The Li(7)-O(24) bond length is 2.48 Å. The Li(7)-O(27) bond length is 1.97 Å. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one O(12), one O(2), one O(23), and one O(28) atom. The Li(8)-O(12) bond length is 2.03 Å. The Li(8)-O(2) bond length is 1.96 Å. The Li(8)-O(23) bond length is 2.48 Å. The Li(8)-O(28) bond length is 1.98 Å. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one O(13,14); one O(18); one O(29); and one O(7) atom. The Li(9)-O(13,14) bond length is 2.03 Å. The Li(9)-O(18) bond length is 2.48 Å. The Li(9)-O(29) bond length is 1.97 Å. The Li(9)-O(7) bond length is 1.96 Å. In the tenth Li site, Li(10) is bonded in a 3-coordinate geometry to one O(13,14); one O(17); one O(30); and one O(8) atom. The Li(10)-O(13,14) bond length is 2.03 Å. The Li(10)-O(17) bond length is 2.48 Å. The Li(10)-O(30) bond length is 1.97 Å. The Li(10)-O(8) bond length is 1.96 Å. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(31), and one O(6) atom. The Li(11)-O(15) bond length is 2.03 Å. The Li(11)-O(20) bond length is 2.46 Å. The Li(11)-O(31) bond length is 1.98 Å. The Li(11)-O(6) bond length is 1.97 Å. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(16), one O(19), one O(32), and one O(5) atom. The Li(12)-O(16) bond length is 2.02 Å. The Li(12)-O(19) bond length is 2.46 Å. The Li(12)-O(32) bond length is 1.98 Å. The Li(12)-O(5) bond length is 1.97 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(18), one O(24), one O(28), one O(30), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(7)O4 tetrahedra; corners with two equivalent P(8)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one Li(2)O6 octahedra; and  an edgeedge with one Li(4)O6 octahedra. The V(1)-O(1) bond length is 2.16 Å. The V(1)-O(18) bond length is 2.20 Å. The V(1)-O(24) bond length is 2.21 Å. The V(1)-O(28) bond length is 2.20 Å. The V(1)-O(30) bond length is 2.20 Å. The V(1)-O(7) bond length is 2.16 Å. In the second V site, V(2) is bonded to one O(20), one O(21), one O(25), one O(3), one O(32), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  an edgeedge with one Li(1)O6 octahedra, and  an edgeedge with one Li(4)O6 octahedra. The V(2)-O(20) bond length is 2.21 Å. The V(2)-O(21) bond length is 2.20 Å. The V(2)-O(25) bond length is 2.20 Å. The V(2)-O(3) bond length is 2.16 Å. The V(2)-O(32) bond length is 2.20 Å. The V(2)-O(6) bond length is 2.16 Å. In the third V site, V(3) is bonded to one O(17), one O(2), one O(23), one O(27), one O(29), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(8)O4 tetrahedra; corners with two equivalent P(7)O4 tetrahedra; corners with three equivalent P(1,2)O4 tetrahedra;  an edgeedge with one Li(1)O6 octahedra; and  an edgeedge with one Li(3)O6 octahedra. The V(3)-O(17) bond length is 2.20 Å. The V(3)-O(2) bond length is 2.16 Å. The V(3)-O(23) bond length is 2.20 Å. The V(3)-O(27) bond length is 2.20 Å. The V(3)-O(29) bond length is 2.20 Å. The V(3)-O(8) bond length is 2.15 Å. In the fourth V site, V(4) is bonded to one O(19), one O(22), one O(26), one O(31), one O(4), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  an edgeedge with one Li(2)O6 octahedra, and  an edgeedge with one Li(3)O6 octahedra. The V(4)-O(19) bond length is 2.21 Å. The V(4)-O(22) bond length is 2.21 Å. The V(4)-O(26) bond length is 2.20 Å. The V(4)-O(31) bond length is 2.20 Å. The V(4)-O(4) bond length is 2.16 Å. The V(4)-O(5) bond length is 2.15 Å. There are seven inequivalent P sites. In the first P site, P(1,2) is bonded to one O(1); one O(17); one O(29); and one O(9,10) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(1,2)-O(1) bond length is 1.53 Å. The P(1,2)-O(17) bond length is 1.55 Å. The P(1,2)-O(29) bond length is 1.56 Å. The P(1,2)-O(9,10) bond length is 1.59 Å. In the second P site, P(3) is bonded to one O(11), one O(19), one O(3), and one O(31) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(3)-O(11) bond length is 1.59 Å. The P(3)-O(19) bond length is 1.55 Å. The P(3)-O(3) bond length is 1.53 Å. The P(3)-O(31) bond length is 1.56 Å. In the third P site, P(4) is bonded to one O(12), one O(20), one O(32), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(4)-O(12) bond length is 1.59 Å. The P(4)-O(20) bond length is 1.55 Å. The P(4)-O(32) bond length is 1.56 Å. The P(4)-O(4) bond length is 1.53 Å. In the fourth P site, P(5) is bonded to one O(13,14); one O(21); one O(25); and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(5)-O(13,14) bond length is 1.59 Å. The P(5)-O(21) bond length is 1.55 Å. The P(5)-O(25) bond length is 1.56 Å. The P(5)-O(5) bond length is 1.53 Å. In the fifth P site, P(6) is bonded to one O(13,14); one O(22); one O(26); and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(6)-O(13,14) bond length is 1.59 Å. The P(6)-O(22) bond length is 1.55 Å. The P(6)-O(26) bond length is 1.56 Å. The P(6)-O(6) bond length is 1.53 Å. In the sixth P site, P(7) is bonded to one O(15), one O(23), one O(27), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(7)-O(15) bond length is 1.59 Å. The P(7)-O(23) bond length is 1.55 Å. The P(7)-O(27) bond length is 1.56 Å. The P(7)-O(7) bond length is 1.53 Å. In the seventh P site, P(8) is bonded to one O(16), one O(24), one O(28), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. The P(8)-O(16) bond length is 1.59 Å. The P(8)-O(24) bond length is 1.55 Å. The P(8)-O(28) bond length is 1.56 Å. The P(8)-O(8) bond length is 1.53 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(13,14) and one O(9,10) atom. The H(1)-O(13,14) bond length is 1.20 Å. The H(1)-O(9,10) bond length is 1.21 Å. In the second H site, H(2) is bonded in a linear geometry to one O(13,14) and one O(9,10) atom. The H(2)-O(13,14) bond length is 1.20 Å. The H(2)-O(9,10) bond length is 1.22 Å. In the third H site, H(3) is bonded in a linear geometry to one O(12) and one O(15) atom. The H(3)-O(12) bond length is 1.21 Å. The H(3)-O(15) bond length is 1.21 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(11) and one O(16) atom. The H(4)-O(11) bond length is 1.21 Å. The H(4)-O(16) bond length is 1.21 Å. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(7); one V(1); and one P(1,2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(8); one V(3); and one P(1,2) atom. The O(2)-P(1,2) bond length is 1.53 Å. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(6), one V(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(5), one V(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(12), one V(4), and one P(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(11), one V(2), and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(9), one V(1), and one P(7) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(10), one V(3), and one P(8) atom. In the ninth O site, O(9,10) is bonded in a distorted rectangular see-saw-like geometry to one Li(2); one Li(5); one P(1,2); and one H(2) atom. In the tenth O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(7), one P(3), and one H(4) atom. In the eleventh O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(8), one P(4), and one H(3) atom. In the twelfth O site, O(13,14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(9), one P(5), and one H(1) atom. In the thirteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(11), one Li(4), one P(7), and one H(3) atom. In the fourteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(12), one Li(3), one P(8), and one H(4) atom. In the fifteenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1); one Li(10); one V(3); and one P(1,2) atom. In the sixteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2); one Li(9); one V(1); and one P(1,2) atom. The O(18)-P(1,2) bond length is 1.55 Å. In the seventeenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(12), one Li(3), one V(4), and one P(3) atom. In the eighteenth O site, O(20) is bonded in a 4-coordinate geometry to one Li(11), one Li(4), one V(2), and one P(4) atom. In the nineteenth O site, O(21) is bonded in a 4-coordinate geometry to one Li(1), one Li(6), one V(2), and one P(5) atom. In the twentieth O site, O(22) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(4), and one P(6) atom. In the twenty-first O site, O(23) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one V(3), and one P(7) atom. In the twenty-second O site, O(24) is bonded in a 4-coordinate geometry to one Li(4), one Li(7), one V(1), and one P(8) atom. In the twenty-third O site, O(25) is bonded to one Li(1), one Li(5), one V(2), and one P(5) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-fourth O site, O(26) is bonded to one Li(2), one Li(6), one V(4), and one P(6) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-fifth O site, O(27) is bonded to one Li(3), one Li(7), one V(3), and one P(7) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-sixth O site, O(28) is bonded to one Li(4), one Li(8), one V(1), and one P(8) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-seventh O site, O(29) is bonded to one Li(1); one Li(9); one V(3); and one P(1,2) atom to form distorted corner-sharing OLi2VP tetrahedra. In the twenty-eighth O site, O(30) is bonded to one Li(10); one Li(2); one V(1); and one P(1,2) atom to form distorted corner-sharing OLi2VP tetrahedra. The O(30)-P(1,2) bond length is 1.56 Å. In the twenty-ninth O site, O(31) is bonded to one Li(11), one Li(3), one V(4), and one P(3) atom to form distorted corner-sharing OLi2VP tetrahedra. In the thirtieth O site, O(32) is bonded to one Li(12), one Li(4), one V(2), and one P(4) atom to form distorted corner-sharing OLi2VP tetrahedra.