Li3VCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(25), one O(26), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(2), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)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, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-93°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-86°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-88°. In the sixth Li site, Li(6) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom to form distorted LiO6 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,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(21), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-88°. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-88°. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(20), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Li(10)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-90°. In the tenth Li site, Li(10) is bonded to one O(17), one O(18), one O(19), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-89°. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(24), and one O(3) atom. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(27) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. In the second V site, V(2) is bonded to one O(10), one O(11), one O(17), one O(3), one O(6), and one O(9) atom to form distorted 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(2)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(12), one O(18), one O(19), one O(20), one O(23), and one O(26) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. In the fourth V site, V(4) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(28) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(26) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-62°. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-63°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. In the fourth P site, P(4) is bonded to one O(13), one O(17), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-65°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(12), one Li(6), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), and one C(3) atom to form distorted OLi2VC tetrahedra that share  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(11)LiV2P trigonal pyramids, and  an edgeedge with one O(12)LiV2P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(11), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(4) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(13)Li3P trigonal pyramids, and  an edgeedge with one O(14)Li2VP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(6), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Li(6), and one P(1) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(2)Li2VC tetrahedra,  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra,  a cornercorner with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(13)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one V(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(3), one V(1), one V(2), and one P(3) atom to form distorted OLiV2P trigonal pyramids that share  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra, corners with two equivalent O(2)Li2VC tetrahedra, and corners with two equivalent O(12)LiV2P tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one V(1), one V(3), and one P(1) atom to form distorted OLiV2P tetrahedra that share  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(18)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(11)LiV2P trigonal pyramids, and  an edgeedge with one O(2)Li2VC tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Li(6), and one P(4) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra, corners with two equivalent O(14)Li2VP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one V(4), and one P(2) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(18)Li2VP trigonal pyramid,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(13)Li3P trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Li(8), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(11)LiV2P trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one V(4), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra, corners with two equivalent O(24)Li3C tetrahedra, corners with two equivalent O(15)Li3P tetrahedra,  a cornercorner with one O(8)Li3P trigonal pyramid,  an edgeedge with one O(21)Li2VP trigonal pyramid, and  an edgeedge with one O(22)Li2VP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(9), one V(2), and one P(4) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  a cornercorner with one O(11)LiV2P trigonal pyramid, corners with two equivalent O(18)Li2VP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(9), one V(3), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra, corners with two equivalent O(17)Li2VP tetrahedra, and corners with two equivalent O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(11), one V(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(11), one Li(9), one V(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(12), one Li(7), one V(4), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(22)Li2VP trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(12), one Li(8), one V(4), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(21)Li2VP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one V(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(7), one Li(8), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(15)Li3P tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Li(10), one Li(2), one Li(9), one V(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(10), one Li(12), one Li(9), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one V(4), and one C(4) atom.
Li3VCPO7 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(28), one O(7), and one O(8) atom. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(28) bond length is 1.93 Å. The Li(1)-O(7) bond length is 2.21 Å. The Li(1)-O(8) bond length is 2.13 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(25), one O(26), one O(5), and one O(9) atom. The Li(2)-O(10) bond length is 2.18 Å. The Li(2)-O(25) bond length is 2.56 Å. The Li(2)-O(26) bond length is 1.95 Å. The Li(2)-O(5) bond length is 2.02 Å. The Li(2)-O(9) bond length is 2.30 Å. In the third Li site, Li(3) is bonded to one O(10), one O(11), one O(12), one O(2), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)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, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 64-93°. The Li(3)-O(10) bond length is 2.21 Å. The Li(3)-O(11) bond length is 2.17 Å. The Li(3)-O(12) bond length is 2.16 Å. The Li(3)-O(2) bond length is 2.13 Å. The Li(3)-O(4) bond length is 2.40 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-86°. The Li(4)-O(13) bond length is 2.13 Å. The Li(4)-O(14) bond length is 2.27 Å. The Li(4)-O(5) bond length is 2.19 Å. The Li(4)-O(6) bond length is 2.39 Å. The Li(4)-O(7) bond length is 2.09 Å. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(5), one O(6), 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(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Li(6)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-88°. The Li(5)-O(13) bond length is 2.12 Å. The Li(5)-O(14) bond length is 2.30 Å. The Li(5)-O(5) bond length is 2.17 Å. The Li(5)-O(6) bond length is 2.45 Å. The Li(5)-O(8) bond length is 2.06 Å. In the sixth Li site, Li(6) is bonded to one O(1), one O(13), one O(15), one O(4), one O(7), and one O(8) atom to form distorted LiO6 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,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(5)O5 trigonal bipyramid. The Li(6)-O(1) bond length is 2.40 Å. The Li(6)-O(13) bond length is 2.05 Å. The Li(6)-O(15) bond length is 2.10 Å. The Li(6)-O(4) bond length is 2.34 Å. The Li(6)-O(7) bond length is 2.12 Å. The Li(6)-O(8) bond length is 2.07 Å. In the seventh Li site, Li(7) is bonded to one O(15), one O(16), one O(21), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 70-88°. The Li(7)-O(15) bond length is 2.10 Å. The Li(7)-O(16) bond length is 2.24 Å. The Li(7)-O(21) bond length is 2.10 Å. The Li(7)-O(23) bond length is 2.49 Å. The Li(7)-O(24) bond length is 2.09 Å. In the eighth Li site, Li(8) is bonded to one O(15), one O(16), one O(22), one O(23), and one O(24) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(4)O6 octahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 69-88°. The Li(8)-O(15) bond length is 2.09 Å. The Li(8)-O(16) bond length is 2.25 Å. The Li(8)-O(22) bond length is 2.09 Å. The Li(8)-O(23) bond length is 2.49 Å. The Li(8)-O(24) bond length is 2.11 Å. In the ninth Li site, Li(9) is bonded to one O(17), one O(18), one O(20), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Li(10)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-90°. The Li(9)-O(17) bond length is 2.11 Å. The Li(9)-O(18) bond length is 2.20 Å. The Li(9)-O(20) bond length is 2.11 Å. The Li(9)-O(25) bond length is 2.46 Å. The Li(9)-O(27) bond length is 2.09 Å. In the tenth Li site, Li(10) is bonded to one O(17), one O(18), one O(19), one O(25), and one O(27) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 65-89°. The Li(10)-O(17) bond length is 2.13 Å. The Li(10)-O(18) bond length is 2.26 Å. The Li(10)-O(19) bond length is 2.11 Å. The Li(10)-O(25) bond length is 2.41 Å. The Li(10)-O(27) bond length is 2.09 Å. In the eleventh Li site, Li(11) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(24), and one O(3) atom. The Li(11)-O(19) bond length is 2.22 Å. The Li(11)-O(20) bond length is 2.21 Å. The Li(11)-O(24) bond length is 2.00 Å. The Li(11)-O(3) bond length is 1.95 Å. In the twelfth Li site, Li(12) is bonded in a 4-coordinate geometry to one O(1), one O(21), one O(22), and one O(27) atom. The Li(12)-O(1) bond length is 1.93 Å. The Li(12)-O(21) bond length is 2.17 Å. The Li(12)-O(22) bond length is 2.18 Å. The Li(12)-O(27) bond length is 2.06 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(2), one O(4), one O(7), and one O(9) atom. The V(1)-O(11) bond length is 2.19 Å. The V(1)-O(12) bond length is 2.19 Å. The V(1)-O(2) bond length is 2.17 Å. The V(1)-O(4) bond length is 2.16 Å. The V(1)-O(7) bond length is 2.64 Å. The V(1)-O(9) bond length is 2.24 Å. In the second V site, V(2) is bonded to one O(10), one O(11), one O(17), one O(3), one O(6), and one O(9) atom to form distorted 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(2)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The V(2)-O(10) bond length is 2.11 Å. The V(2)-O(11) bond length is 2.19 Å. The V(2)-O(17) bond length is 2.17 Å. The V(2)-O(3) bond length is 2.25 Å. The V(2)-O(6) bond length is 2.18 Å. The V(2)-O(9) bond length is 2.14 Å. In the third V site, V(3) is bonded to one O(12), one O(18), one O(19), one O(20), one O(23), and one O(26) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid,  an edgeedge with one Li(10)O5 trigonal bipyramid, and  an edgeedge with one Li(9)O5 trigonal bipyramid. The V(3)-O(12) bond length is 2.18 Å. The V(3)-O(18) bond length is 2.14 Å. The V(3)-O(19) bond length is 2.12 Å. The V(3)-O(20) bond length is 2.11 Å. The V(3)-O(23) bond length is 2.19 Å. The V(3)-O(26) bond length is 2.25 Å. In the fourth V site, V(4) is bonded to one O(14), one O(16), one O(21), one O(22), one O(25), and one O(28) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(9)O5 trigonal bipyramid,  an edgeedge with one Li(7)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The V(4)-O(14) bond length is 2.21 Å. The V(4)-O(16) bond length is 2.16 Å. The V(4)-O(21) bond length is 2.12 Å. The V(4)-O(22) bond length is 2.12 Å. The V(4)-O(25) bond length is 2.22 Å. The V(4)-O(28) bond length is 2.23 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(24), and one O(4) atom. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(24) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.32 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(27), one O(3), and one O(6) atom. The C(2)-O(27) bond length is 1.29 Å. The C(2)-O(3) bond length is 1.31 Å. The C(2)-O(6) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(2), one O(23), and one O(26) atom. The C(3)-O(2) bond length is 1.31 Å. The C(3)-O(23) bond length is 1.29 Å. The C(3)-O(26) bond length is 1.29 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(25), one O(28), and one O(5) atom. The C(4)-O(25) bond length is 1.31 Å. The C(4)-O(28) bond length is 1.30 Å. The C(4)-O(5) bond length is 1.30 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Li(6)O6 octahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid, and  a cornercorner with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-62°. The P(1)-O(12) bond length is 1.60 Å. The P(1)-O(16) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(10), one O(14), one O(18), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-63°. The P(2)-O(10) bond length is 1.56 Å. The P(2)-O(14) bond length is 1.55 Å. The P(2)-O(18) bond length is 1.54 Å. The P(2)-O(9) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(11), one O(15), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(3)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-59°. The P(3)-O(11) bond length is 1.57 Å. The P(3)-O(15) bond length is 1.54 Å. The P(3)-O(19) bond length is 1.56 Å. The P(3)-O(20) bond length is 1.55 Å. In the fourth P site, P(4) is bonded to one O(13), one O(17), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one Li(10)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  a cornercorner with one Li(5)O5 trigonal bipyramid,  a cornercorner with one Li(7)O5 trigonal bipyramid,  a cornercorner with one Li(8)O5 trigonal bipyramid, and  a cornercorner with one Li(9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-65°. The P(4)-O(13) bond length is 1.53 Å. The P(4)-O(17) bond length is 1.57 Å. The P(4)-O(21) bond length is 1.56 Å. The P(4)-O(22) bond length is 1.56 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(12), one Li(6), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one V(1), and one C(3) atom to form distorted OLi2VC tetrahedra that share  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(11)LiV2P trigonal pyramids, and  an edgeedge with one O(12)LiV2P tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(11), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), and one C(4) atom to form OLi3C tetrahedra that share  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(13)Li3P trigonal pyramids, and  an edgeedge with one O(14)Li2VP tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Li(6), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(5), one Li(6), and one P(1) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(2)Li2VC tetrahedra,  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra,  a cornercorner with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(13)Li3P trigonal pyramid. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(2), one V(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded to one Li(3), one V(1), one V(2), and one P(3) atom to form distorted OLiV2P trigonal pyramids that share  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra, corners with two equivalent O(2)Li2VC tetrahedra, and corners with two equivalent O(12)LiV2P tetrahedra. In the twelfth O site, O(12) is bonded to one Li(3), one V(1), one V(3), and one P(1) atom to form distorted OLiV2P tetrahedra that share  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(18)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(11)LiV2P trigonal pyramids, and  an edgeedge with one O(2)Li2VC tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Li(6), and one P(4) atom to form distorted OLi3P trigonal pyramids that share  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra, corners with two equivalent O(14)Li2VP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid, and  an edgeedge with one O(8)Li3P trigonal pyramid. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one V(4), and one P(2) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(18)Li2VP trigonal pyramid,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid, corners with two equivalent O(13)Li3P trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(6), one Li(7), one Li(8), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  a cornercorner with one O(8)Li3P trigonal pyramid,  a cornercorner with one O(11)LiV2P trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(24)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(7), one Li(8), one V(4), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra, corners with two equivalent O(24)Li3C tetrahedra, corners with two equivalent O(15)Li3P tetrahedra,  a cornercorner with one O(8)Li3P trigonal pyramid,  an edgeedge with one O(21)Li2VP trigonal pyramid, and  an edgeedge with one O(22)Li2VP trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(9), one V(2), and one P(4) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  a cornercorner with one O(11)LiV2P trigonal pyramid, corners with two equivalent O(18)Li2VP trigonal pyramids, and  an edgeedge with one O(27)Li3C tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(9), one V(3), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(12)LiV2P tetrahedra, corners with two equivalent O(17)Li2VP tetrahedra, and corners with two equivalent O(27)Li3C tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(10), one Li(11), one V(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(11), one Li(9), one V(3), and one P(3) atom. In the twenty-first O site, O(21) is bonded to one Li(12), one Li(7), one V(4), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(22)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(22)Li2VP trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Li(12), one Li(8), one V(4), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(14)Li2VP tetrahedra,  a cornercorner with one O(17)Li2VP tetrahedra,  a cornercorner with one O(24)Li3C tetrahedra,  a cornercorner with one O(27)Li3C tetrahedra,  a cornercorner with one O(15)Li3P tetrahedra,  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(13)Li3P trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(21)Li2VP trigonal pyramid. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(7), one Li(8), one V(3), and one C(3) atom. In the twenty-fourth O site, O(24) is bonded to one Li(11), one Li(7), one Li(8), and one C(1) atom to form OLi3C tetrahedra that share  a cornercorner with one O(21)Li2VP trigonal pyramid,  a cornercorner with one O(22)Li2VP trigonal pyramid, corners with two equivalent O(16)Li2VP trigonal pyramids, and  an edgeedge with one O(15)Li3P tetrahedra. In the twenty-fifth O site, O(25) is bonded in a 1-coordinate geometry to one Li(10), one Li(2), one Li(9), one V(4), and one C(4) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one C(3) atom. In the twenty-seventh O site, O(27) is bonded to one Li(10), one Li(12), one Li(9), and one C(2) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Li(1), one V(4), and one C(4) atom.