Li12V3NiP4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(22), one O(5), and two equivalent O(8) atoms. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-88°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), 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 Ni(1)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 V(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. In the fifth Li site, Li(5) is bonded to one O(13), one O(14), one O(18), one O(19), and one O(20) 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(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-88°. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)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(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-86°. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third V site, V(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms 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, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. Ni(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms to form NiO6 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. 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(20), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), 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(19), one O(2), and one O(22) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-60°. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-62°. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one V(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(7), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Li(3), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(12)Li2NiP tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Li(4), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid,  an edgeedge with one O(11)Li2VP trigonal pyramid, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(2), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li2VP trigonal pyramid,  an edgeedge with one O(8)Li2VP trigonal pyramid, and  an edgeedge with one O(9)Li2VP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one V(2), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2VP trigonal pyramids, and edges with two equivalent O(8)Li2VP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one V(3), and one P(1) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, corners with two equivalent O(9)Li2VP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one V(1), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra, corners with two equivalent O(12)Li2NiP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2NiP trigonal pyramids, and edges with two equivalent O(7)Li2VP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Ni(1), and one P(2) atom to form distorted OLi2NiP tetrahedra that share  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(11)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one V(1), and one P(3) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(11)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid, corners with two equivalent O(14)Li2NiP trigonal pyramids, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Ni(1), and one P(1) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(13)Li2VP tetrahedra, corners with two equivalent O(20)Li3C tetrahedra, corners with two equivalent O(7)Li2VP trigonal pyramids, and edges with two equivalent O(18)Li2NiP trigonal pyramids. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one V(2), and one P(4) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(11)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one V(3), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(15)Li2VP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2VP trigonal pyramids, and edges with two equivalent O(17)Li2VP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one V(3), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(17)Li2VP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Ni(1), and one P(4) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(18)Li2NiP trigonal pyramid,  a cornercorner with one O(11)Li2VP trigonal pyramid,  an edgeedge with one O(14)Li2NiP trigonal pyramid, and  an edgeedge with one O(18)Li2NiP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to two equivalent Li(5), one V(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(14)Li2NiP trigonal pyramids, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(13)Li2VP tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Ni(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(15)Li2VP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one C(4) atom.
Li12V3NiP4(CO7)4 crystallizes in the monoclinic Pm space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(24), and two equivalent O(7) atoms. The Li(1)-O(2) bond length is 2.03 Å. The Li(1)-O(24) bond length is 1.95 Å. Both Li(1)-O(7) bond lengths are 2.20 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(22), one O(5), and two equivalent O(8) atoms. The Li(2)-O(22) bond length is 1.94 Å. The Li(2)-O(5) bond length is 2.02 Å. Both Li(2)-O(8) bond lengths are 2.18 Å. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(8), and one O(9) 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(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-88°. The Li(3)-O(10) bond length is 2.17 Å. The Li(3)-O(2) bond length is 2.07 Å. The Li(3)-O(4) bond length is 2.43 Å. The Li(3)-O(8) bond length is 2.14 Å. The Li(3)-O(9) bond length is 2.20 Å. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), 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 Ni(1)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 V(1)O6 octahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. The Li(4)-O(11) bond length is 2.20 Å. The Li(4)-O(12) bond length is 2.17 Å. The Li(4)-O(5) bond length is 2.11 Å. The Li(4)-O(6) bond length is 2.42 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(18), one O(19), and one O(20) 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(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 67-88°. The Li(5)-O(13) bond length is 2.16 Å. The Li(5)-O(14) bond length is 2.19 Å. The Li(5)-O(18) bond length is 2.10 Å. The Li(5)-O(19) bond length is 2.43 Å. The Li(5)-O(20) bond length is 2.08 Å. In the sixth Li site, Li(6) is bonded to one O(15), one O(16), one O(17), one O(21), and one O(23) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Ni(1)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(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-86°. The Li(6)-O(15) bond length is 2.14 Å. The Li(6)-O(16) bond length is 2.20 Å. The Li(6)-O(17) bond length is 2.12 Å. The Li(6)-O(21) bond length is 2.41 Å. The Li(6)-O(23) bond length is 2.07 Å. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to one O(20), one O(3), and two equivalent O(17) atoms. The Li(7)-O(20) bond length is 2.04 Å. The Li(7)-O(3) bond length is 1.95 Å. Both Li(7)-O(17) bond lengths are 2.19 Å. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(23), and two equivalent O(18) atoms. The Li(8)-O(1) bond length is 1.94 Å. The Li(8)-O(23) bond length is 2.03 Å. Both Li(8)-O(18) bond lengths are 2.22 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(13), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(4)O5 trigonal bipyramids. The V(1)-O(1) bond length is 2.22 Å. The V(1)-O(11) bond length is 2.16 Å. The V(1)-O(13) bond length is 2.19 Å. The V(1)-O(4) bond length is 2.20 Å. Both V(1)-O(7) bond lengths are 2.11 Å. In the second V site, V(2) is bonded to one O(15), one O(3), one O(6), one O(9), and two equivalent O(8) atoms to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(3)O5 trigonal bipyramids. The V(2)-O(15) bond length is 2.19 Å. The V(2)-O(3) bond length is 2.22 Å. The V(2)-O(6) bond length is 2.20 Å. The V(2)-O(9) bond length is 2.16 Å. Both V(2)-O(8) bond lengths are 2.11 Å. In the third V site, V(3) is bonded to one O(10), one O(16), one O(19), one O(22), and two equivalent O(17) atoms 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, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and edges with two equivalent Li(6)O5 trigonal bipyramids. The V(3)-O(10) bond length is 2.18 Å. The V(3)-O(16) bond length is 2.15 Å. The V(3)-O(19) bond length is 2.19 Å. The V(3)-O(22) bond length is 2.22 Å. Both V(3)-O(17) bond lengths are 2.11 Å. Ni(1) is bonded to one O(12), one O(14), one O(21), one O(24), and two equivalent O(18) atoms to form NiO6 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, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and edges with two equivalent Li(5)O5 trigonal bipyramids. The Ni(1)-O(12) bond length is 2.11 Å. The Ni(1)-O(14) bond length is 2.09 Å. The Ni(1)-O(21) bond length is 2.12 Å. The Ni(1)-O(24) bond length is 2.22 Å. Both Ni(1)-O(18) bond lengths are 2.09 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(20), and one O(4) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(20) bond length is 1.29 Å. The C(1)-O(4) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(23), one O(3), and one O(6) atom. The C(2)-O(23) bond length is 1.29 Å. The C(2)-O(3) bond length is 1.30 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(19), one O(2), and one O(22) atom. The C(3)-O(19) bond length is 1.30 Å. The C(3)-O(2) bond length is 1.29 Å. The C(3)-O(22) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(21), one O(24), and one O(5) atom. The C(4)-O(21) bond length is 1.31 Å. The C(4)-O(24) 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(10), one O(14), and two equivalent O(7) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(5)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-61°. The P(1)-O(10) bond length is 1.56 Å. The P(1)-O(14) bond length is 1.55 Å. Both P(1)-O(7) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(12), one O(16), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-60°. The P(2)-O(12) bond length is 1.57 Å. The P(2)-O(16) bond length is 1.54 Å. Both P(2)-O(8) bond lengths are 1.56 Å. In the third P site, P(3) is bonded to one O(13), one O(9), and two equivalent O(17) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-62°. The P(3)-O(13) bond length is 1.56 Å. The P(3)-O(9) bond length is 1.55 Å. Both P(3)-O(17) bond lengths are 1.56 Å. In the fourth P site, P(4) is bonded to one O(11), one O(15), and two equivalent O(18) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. The P(4)-O(11) bond length is 1.54 Å. The P(4)-O(15) bond length is 1.56 Å. Both P(4)-O(18) bond lengths are 1.56 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(8), one V(1), and one C(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(3), and one C(3) atom to form a mixture of corner and edge-sharing OLi3C tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(7), one V(2), and one C(2) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Li(3), one V(1), and one C(1) atom. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(4), and one C(4) atom to form OLi3C tetrahedra that share corners with two equivalent O(11)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(12)Li2NiP tetrahedra. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Li(4), one V(2), and one C(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(7)Li2VP trigonal pyramid,  an edgeedge with one O(11)Li2VP trigonal pyramid, and  an edgeedge with one O(7)Li2VP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one V(2), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(2)Li3C tetrahedra,  a cornercorner with one O(5)Li3C tetrahedra,  a cornercorner with one O(16)Li2VP trigonal pyramid,  a cornercorner with one O(8)Li2VP trigonal pyramid,  an edgeedge with one O(8)Li2VP trigonal pyramid, and  an edgeedge with one O(9)Li2VP trigonal pyramid. In the ninth O site, O(9) is bonded to two equivalent Li(3), one V(2), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra, corners with two equivalent O(10)Li2VP tetrahedra, corners with two equivalent O(2)Li3C tetrahedra, corners with two equivalent O(17)Li2VP trigonal pyramids, and edges with two equivalent O(8)Li2VP trigonal pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one V(3), and one P(1) atom to form distorted OLi2VP tetrahedra that share  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, corners with two equivalent O(9)Li2VP trigonal pyramids, and  an edgeedge with one O(2)Li3C tetrahedra. In the eleventh O site, O(11) is bonded to two equivalent Li(4), one V(1), and one P(4) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra, corners with two equivalent O(12)Li2NiP tetrahedra, corners with two equivalent O(5)Li3C tetrahedra, corners with two equivalent O(18)Li2NiP trigonal pyramids, and edges with two equivalent O(7)Li2VP trigonal pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(4), one Ni(1), and one P(2) atom to form distorted OLi2NiP tetrahedra that share  a cornercorner with one O(14)Li2NiP trigonal pyramid,  a cornercorner with one O(16)Li2VP trigonal pyramid, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(11)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the thirteenth O site, O(13) is bonded to two equivalent Li(5), one V(1), and one P(3) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(11)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid, corners with two equivalent O(14)Li2NiP trigonal pyramids, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(7)Li2VP trigonal pyramids, and  an edgeedge with one O(20)Li3C tetrahedra. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Ni(1), and one P(1) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(13)Li2VP tetrahedra, corners with two equivalent O(20)Li3C tetrahedra, corners with two equivalent O(7)Li2VP trigonal pyramids, and edges with two equivalent O(18)Li2NiP trigonal pyramids. In the fifteenth O site, O(15) is bonded to two equivalent Li(6), one V(2), and one P(4) atom to form OLi2VP tetrahedra that share  a cornercorner with one O(11)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, corners with two equivalent O(8)Li2VP trigonal pyramids, and  an edgeedge with one O(23)Li3C tetrahedra. In the sixteenth O site, O(16) is bonded to two equivalent Li(6), one V(3), and one P(2) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(10)Li2VP tetrahedra, corners with two equivalent O(15)Li2VP tetrahedra, corners with two equivalent O(23)Li3C tetrahedra, corners with two equivalent O(8)Li2VP trigonal pyramids, and edges with two equivalent O(17)Li2VP trigonal pyramids. In the seventeenth O site, O(17) is bonded to one Li(6), one Li(7), one V(3), and one P(3) atom to form distorted OLi2VP trigonal pyramids that share  a cornercorner with one O(10)Li2VP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(17)Li2VP trigonal pyramid,  a cornercorner with one O(9)Li2VP trigonal pyramid,  an edgeedge with one O(16)Li2VP trigonal pyramid, and  an edgeedge with one O(17)Li2VP trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Li(5), one Li(8), one Ni(1), and one P(4) atom to form distorted OLi2NiP trigonal pyramids that share  a cornercorner with one O(12)Li2NiP tetrahedra,  a cornercorner with one O(13)Li2VP tetrahedra,  a cornercorner with one O(15)Li2VP tetrahedra,  a cornercorner with one O(20)Li3C tetrahedra,  a cornercorner with one O(23)Li3C tetrahedra,  a cornercorner with one O(18)Li2NiP trigonal pyramid,  a cornercorner with one O(11)Li2VP trigonal pyramid,  an edgeedge with one O(14)Li2NiP trigonal pyramid, and  an edgeedge with one O(18)Li2NiP trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 1-coordinate geometry to two equivalent Li(5), one V(3), and one C(3) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(5), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(14)Li2NiP trigonal pyramids, corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(13)Li2VP tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Ni(1), and one C(4) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(2), one V(3), and one C(3) atom. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Li(6), and one C(2) atom to form OLi3C tetrahedra that share corners with two equivalent O(18)Li2NiP trigonal pyramids, corners with two equivalent O(16)Li2VP trigonal pyramids, corners with two equivalent O(17)Li2VP trigonal pyramids, and  an edgeedge with one O(15)Li2VP tetrahedra. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one C(4) atom.