Li3V8ZnO16 is Spinel-derived structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with eight equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the second V site, V(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. Zn(1) is bonded to four equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent V(2)O6 octahedra and corners with eight equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with three equivalent O(4)LiV3 trigonal pyramids, corners with six equivalent O(3)LiV3 trigonal pyramids,  an edgeedge with one O(1)LiV3 trigonal pyramid, and edges with two equivalent O(2)V3Zn trigonal pyramids. In the second O site, O(2) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form distorted OV3Zn trigonal pyramids that share corners with three equivalent O(3)LiV3 trigonal pyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, corners with six equivalent O(4)LiV3 trigonal pyramids,  an edgeedge with one O(2)V3Zn trigonal pyramid, and edges with two equivalent O(1)LiV3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(2) and three equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)LiV3 trigonal pyramid, corners with two equivalent O(4)LiV3 trigonal pyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, corners with six equivalent O(1)LiV3 trigonal pyramids, and edges with three equivalent O(3)LiV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(4)LiV3 trigonal pyramid, corners with two equivalent O(3)LiV3 trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, corners with six equivalent O(2)V3Zn trigonal pyramids, and edges with three equivalent O(4)LiV3 trigonal pyramids.
Li3V8ZnO16 is Spinel-derived structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with eight equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li(1)-O(1) bond lengths are 1.98 Å. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. Both Li(2)-O(3) bond lengths are 1.97 Å. Both Li(2)-O(4) bond lengths are 1.98 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The V(1)-O(1) bond length is 2.00 Å. Both V(1)-O(2) bond lengths are 2.05 Å. There are two shorter (2.00 Å) and one longer (2.02 Å) V(1)-O(4) bond length. In the second V site, V(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The V(2)-O(2) bond length is 2.06 Å. Both V(2)-O(1) bond lengths are 2.02 Å. There is one shorter (2.00 Å) and two longer (2.03 Å) V(2)-O(3) bond lengths. Zn(1) is bonded to four equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with four equivalent V(2)O6 octahedra and corners with eight equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. All Zn(1)-O(2) bond lengths are 1.98 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), and two equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with three equivalent O(4)LiV3 trigonal pyramids, corners with six equivalent O(3)LiV3 trigonal pyramids,  an edgeedge with one O(1)LiV3 trigonal pyramid, and edges with two equivalent O(2)V3Zn trigonal pyramids. In the second O site, O(2) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form distorted OV3Zn trigonal pyramids that share corners with three equivalent O(3)LiV3 trigonal pyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, corners with six equivalent O(4)LiV3 trigonal pyramids,  an edgeedge with one O(2)V3Zn trigonal pyramid, and edges with two equivalent O(1)LiV3 trigonal pyramids. In the third O site, O(3) is bonded to one Li(2) and three equivalent V(2) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(3)LiV3 trigonal pyramid, corners with two equivalent O(4)LiV3 trigonal pyramids, corners with three equivalent O(2)V3Zn trigonal pyramids, corners with six equivalent O(1)LiV3 trigonal pyramids, and edges with three equivalent O(3)LiV3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share  a cornercorner with one O(4)LiV3 trigonal pyramid, corners with two equivalent O(3)LiV3 trigonal pyramids, corners with three equivalent O(1)LiV3 trigonal pyramids, corners with six equivalent O(2)V3Zn trigonal pyramids, and edges with three equivalent O(4)LiV3 trigonal pyramids.