Li3VFeP2(O4F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(16), one O(2), one O(9), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(15), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(3), one O(5), one F(1), and one F(3) atom. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(4), one O(6), one F(2), and one F(4) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Li(6)O4F trigonal bipyramid,  a faceface with one Fe(1)O4F2 octahedra, and  a faceface with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. In the fifth Li site, Li(5) is bonded to one O(16), one O(2), one O(5), one O(7), and one F(3) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. In the sixth Li site, Li(6) is bonded to one O(1), one O(15), one O(6), one O(8), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(16), one O(2), one O(7), one O(9), one F(1), and one F(3) atom to form VO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  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, edges with two equivalent Li(1)O4F trigonal bipyramids, and edges with two equivalent Li(5)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(15), one O(8), one F(2), and one F(4) atom to form VO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  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, edges with two equivalent Li(2)O4F trigonal bipyramids, and edges with two equivalent Li(6)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-55°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(14), one O(3), one O(5), one F(1), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  a faceface with one Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(4), one O(6), one F(2), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  a faceface with one Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-51°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-52°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(5), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(6), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one V(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one V(1), and one P(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(2), and one Fe(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one V(2), and one Fe(1) atom.
Li3VFeP2(O4F)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(16), one O(2), one O(9), and one F(1) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. The Li(1)-O(11) bond length is 2.17 Å. The Li(1)-O(16) bond length is 2.17 Å. The Li(1)-O(2) bond length is 2.08 Å. The Li(1)-O(9) bond length is 1.98 Å. The Li(1)-F(1) bond length is 1.92 Å. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(12), one O(15), and one F(2) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one P(4)O4 tetrahedra, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. The Li(2)-O(1) bond length is 2.08 Å. The Li(2)-O(10) bond length is 1.98 Å. The Li(2)-O(12) bond length is 2.18 Å. The Li(2)-O(15) bond length is 2.17 Å. The Li(2)-F(2) bond length is 1.91 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(3), one O(5), one F(1), and one F(3) atom. The Li(3)-O(11) bond length is 2.15 Å. The Li(3)-O(13) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.51 Å. The Li(3)-F(1) bond length is 2.04 Å. The Li(3)-F(3) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(14), one O(4), one O(6), one F(2), and one F(4) atom to form distorted LiO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Li(2)O4F trigonal bipyramid,  an edgeedge with one Li(6)O4F trigonal bipyramid,  a faceface with one Fe(1)O4F2 octahedra, and  a faceface with one Fe(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 38-40°. The Li(4)-O(12) bond length is 2.17 Å. The Li(4)-O(14) bond length is 2.06 Å. The Li(4)-O(4) bond length is 2.02 Å. The Li(4)-O(6) bond length is 2.49 Å. The Li(4)-F(2) bond length is 2.03 Å. The Li(4)-F(4) bond length is 2.03 Å. In the fifth Li site, Li(5) is bonded to one O(16), one O(2), one O(5), one O(7), and one F(3) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent V(1)O4F2 octahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. The Li(5)-O(16) bond length is 2.13 Å. The Li(5)-O(2) bond length is 2.22 Å. The Li(5)-O(5) bond length is 2.09 Å. The Li(5)-O(7) bond length is 2.01 Å. The Li(5)-F(3) bond length is 1.92 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(15), one O(6), one O(8), and one F(4) atom to form distorted LiO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one Li(4)O4F2 octahedra, edges with two equivalent V(2)O4F2 octahedra,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-57°. The Li(6)-O(1) bond length is 2.21 Å. The Li(6)-O(15) bond length is 2.13 Å. The Li(6)-O(6) bond length is 2.09 Å. The Li(6)-O(8) bond length is 2.01 Å. The Li(6)-F(4) bond length is 1.92 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(16), one O(2), one O(7), one O(9), one F(1), and one F(3) atom to form VO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra,  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, edges with two equivalent Li(1)O4F trigonal bipyramids, and edges with two equivalent Li(5)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 54-55°. The V(1)-O(16) bond length is 2.07 Å. The V(1)-O(2) bond length is 2.07 Å. The V(1)-O(7) bond length is 1.99 Å. The V(1)-O(9) bond length is 1.99 Å. The V(1)-F(1) bond length is 2.04 Å. The V(1)-F(3) bond length is 2.04 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(15), one O(8), one F(2), and one F(4) atom to form VO4F2 octahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra,  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, edges with two equivalent Li(2)O4F trigonal bipyramids, and edges with two equivalent Li(6)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-55°. The V(2)-O(1) bond length is 2.07 Å. The V(2)-O(10) bond length is 1.99 Å. The V(2)-O(15) bond length is 2.07 Å. The V(2)-O(8) bond length is 1.98 Å. The V(2)-F(2) bond length is 2.04 Å. The V(2)-F(4) bond length is 2.04 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(12), one O(14), one O(3), one O(5), one F(1), and one F(4) atom to form FeO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  a faceface with one Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Fe(1)-O(12) bond length is 2.16 Å. The Fe(1)-O(14) bond length is 2.09 Å. The Fe(1)-O(3) bond length is 2.08 Å. The Fe(1)-O(5) bond length is 2.11 Å. The Fe(1)-F(1) bond length is 2.12 Å. The Fe(1)-F(4) bond length is 2.14 Å. In the second Fe site, Fe(2) is bonded to one O(11), one O(13), one O(4), one O(6), one F(2), and one F(3) atom to form FeO4F2 octahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  a faceface with one Li(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. The Fe(2)-O(11) bond length is 2.17 Å. The Fe(2)-O(13) bond length is 2.07 Å. The Fe(2)-O(4) bond length is 2.07 Å. The Fe(2)-O(6) bond length is 2.12 Å. The Fe(2)-F(2) bond length is 2.13 Å. The Fe(2)-F(3) bond length is 2.14 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  an edgeedge with one Li(5)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-51°. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. The P(2)-O(2) bond length is 1.58 Å. The P(2)-O(4) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.54 Å. The P(2)-O(8) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(11), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Fe(2)O4F2 octahedra,  a cornercorner with one Li(2)O4F trigonal bipyramid,  a cornercorner with one Li(6)O4F trigonal bipyramid, and  an edgeedge with one Li(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-52°. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(13) bond length is 1.53 Å. The P(3)-O(15) bond length is 1.58 Å. The P(3)-O(9) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(2)O4F2 octahedra, corners with two equivalent Li(4)O4F2 octahedra, corners with two equivalent Fe(1)O4F2 octahedra,  a cornercorner with one Li(1)O4F trigonal bipyramid,  a cornercorner with one Li(5)O4F trigonal bipyramid, and  an edgeedge with one Li(2)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 28-52°. The P(4)-O(10) bond length is 1.57 Å. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(14) bond length is 1.53 Å. The P(4)-O(16) bond length is 1.58 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Fe(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(4), one Fe(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(5), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(6), one Fe(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Li(5), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(6), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a T-shaped geometry to one Li(2), one V(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Fe(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Fe(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Fe(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Fe(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(6), one V(2), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(5), one V(1), and one P(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one Fe(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(2), and one Fe(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one V(1), and one Fe(2) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Li(4), one Li(6), one V(2), and one Fe(1) atom.