LiVFeP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(22), one O(26), one O(28), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the second Li site, Li(2) is bonded to one O(11), one O(25), one O(27), one O(30), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the third Li site, Li(3) is bonded to one O(12), one O(17), one O(24), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(19), one O(21), one O(29), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the second V site, V(2) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(25) atom to form VO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. In the third V site, V(3) is bonded to one O(15), one O(16), one O(23), one O(28), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 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, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. In the second Fe site, Fe(2) is bonded to one O(13), one O(14), one O(22), one O(23), one O(26), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(20), one O(27), one O(30), and one O(4) atom to form FeO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-50°. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(25), one O(30), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(12), one O(17), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-51°. In the third P site, P(3) is bonded to one O(15), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-52°. In the fourth P site, P(4) is bonded to one O(16), one O(22), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the fifth P site, P(5) is bonded to one O(14), one O(19), one O(27), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-53°. In the sixth P site, P(6) is bonded to one O(1), one O(21), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(18) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(20) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(23) atom. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(3), one V(3), one Fe(1), and one H(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(3), and one H(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Fe(2), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(1), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(2), one Fe(1), and one H(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(2), one Fe(3), and one H(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one V(3), one Fe(2), and one H(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirtieth O site, O(30) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(3), and one P(1) atom.
LiVFeP2(HO5)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(22), one O(26), one O(28), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Li(1)-O(13) bond length is 2.04 Å. The Li(1)-O(22) bond length is 2.07 Å. The Li(1)-O(26) bond length is 1.95 Å. The Li(1)-O(28) bond length is 2.35 Å. The Li(1)-O(7) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(11), one O(25), one O(27), one O(30), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Li(2)-O(11) bond length is 2.03 Å. The Li(2)-O(25) bond length is 2.36 Å. The Li(2)-O(27) bond length is 1.94 Å. The Li(2)-O(30) bond length is 2.06 Å. The Li(2)-O(4) bond length is 2.02 Å. In the third Li site, Li(3) is bonded to one O(12), one O(17), one O(24), one O(5), and one O(8) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. The Li(3)-O(12) bond length is 2.35 Å. The Li(3)-O(17) bond length is 2.06 Å. The Li(3)-O(24) bond length is 1.95 Å. The Li(3)-O(5) bond length is 2.02 Å. The Li(3)-O(8) bond length is 2.03 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(13), one O(19), one O(21), one O(29), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(5)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. The V(1)-O(11) bond length is 2.01 Å. The V(1)-O(13) bond length is 2.01 Å. The V(1)-O(19) bond length is 1.91 Å. The V(1)-O(21) bond length is 1.98 Å. The V(1)-O(29) bond length is 1.98 Å. The V(1)-O(6) bond length is 1.91 Å. In the second V site, V(2) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(25) atom to form VO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. The V(2)-O(10) bond length is 1.97 Å. The V(2)-O(12) bond length is 1.96 Å. The V(2)-O(18) bond length is 1.96 Å. The V(2)-O(2) bond length is 1.97 Å. The V(2)-O(20) bond length is 1.95 Å. The V(2)-O(25) bond length is 1.96 Å. In the third V site, V(3) is bonded to one O(15), one O(16), one O(23), one O(28), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-50°. The V(3)-O(15) bond length is 1.96 Å. The V(3)-O(16) bond length is 1.98 Å. The V(3)-O(23) bond length is 1.94 Å. The V(3)-O(28) bond length is 1.97 Å. The V(3)-O(3) bond length is 1.91 Å. The V(3)-O(8) bond length is 2.04 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(18), one O(24), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 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, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. The Fe(1)-O(17) bond length is 2.00 Å. The Fe(1)-O(18) bond length is 2.04 Å. The Fe(1)-O(24) bond length is 2.03 Å. The Fe(1)-O(5) bond length is 2.02 Å. The Fe(1)-O(8) bond length is 2.12 Å. The Fe(1)-O(9) bond length is 1.93 Å. In the second Fe site, Fe(2) is bonded to one O(13), one O(14), one O(22), one O(23), one O(26), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-50°. The Fe(2)-O(13) bond length is 2.10 Å. The Fe(2)-O(14) bond length is 1.95 Å. The Fe(2)-O(22) bond length is 2.03 Å. The Fe(2)-O(23) bond length is 2.03 Å. The Fe(2)-O(26) bond length is 2.03 Å. The Fe(2)-O(7) bond length is 2.02 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(20), one O(27), one O(30), and one O(4) atom to form FeO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-50°. The Fe(3)-O(1) bond length is 1.94 Å. The Fe(3)-O(11) bond length is 2.11 Å. The Fe(3)-O(20) bond length is 2.03 Å. The Fe(3)-O(27) bond length is 2.02 Å. The Fe(3)-O(30) bond length is 2.02 Å. The Fe(3)-O(4) bond length is 2.03 Å. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(25), one O(30), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. The P(1)-O(10) bond length is 1.56 Å. The P(1)-O(25) bond length is 1.56 Å. The P(1)-O(30) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(12), one O(17), one O(2), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-51°. The P(2)-O(12) bond length is 1.56 Å. The P(2)-O(17) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(15), one O(3), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-52°. The P(3)-O(15) bond length is 1.57 Å. The P(3)-O(3) bond length is 1.56 Å. The P(3)-O(7) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one O(16), one O(22), one O(24), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. The P(4)-O(16) bond length is 1.57 Å. The P(4)-O(22) bond length is 1.54 Å. The P(4)-O(24) bond length is 1.54 Å. The P(4)-O(28) bond length is 1.56 Å. In the fifth P site, P(5) is bonded to one O(14), one O(19), one O(27), and one O(29) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-53°. The P(5)-O(14) bond length is 1.53 Å. The P(5)-O(19) bond length is 1.56 Å. The P(5)-O(27) bond length is 1.54 Å. The P(5)-O(29) bond length is 1.57 Å. In the sixth P site, P(6) is bonded to one O(1), one O(21), one O(26), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-52°. The P(6)-O(1) bond length is 1.53 Å. The P(6)-O(21) bond length is 1.57 Å. The P(6)-O(26) bond length is 1.54 Å. The P(6)-O(6) bond length is 1.56 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(8) atom. The H(1)-O(8) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(11) atom. The H(2)-O(11) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) atom. The H(3)-O(13) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(18) atom. The H(4)-O(18) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(20) atom. The H(5)-O(20) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(23) atom. The H(6)-O(23) bond length is 0.99 Å. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(6) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Li(3), one V(3), one Fe(1), and one H(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Li(2), one V(1), one Fe(3), and one H(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(3), one V(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Li(1), one V(1), one Fe(2), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(3) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(3) and one P(4) atom. In the seventeenth O site, O(17) is bonded in a distorted T-shaped geometry to one Li(3), one Fe(1), and one P(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one V(2), one Fe(1), and one H(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one V(1) and one P(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(2), one Fe(3), and one H(5) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(6) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Li(1), one Fe(2), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one V(3), one Fe(2), and one H(6) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(3), one Fe(1), and one P(4) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one P(1) atom. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Li(1), one Fe(2), and one P(6) atom. In the twenty-seventh O site, O(27) is bonded in a distorted trigonal planar geometry to one Li(2), one Fe(3), and one P(5) atom. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one V(3), and one P(4) atom. In the twenty-ninth O site, O(29) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(5) atom. In the thirtieth O site, O(30) is bonded in a distorted T-shaped geometry to one Li(2), one Fe(3), and one P(1) atom.