Li8PtO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Pt(1)O6 octahedra, and edges with six equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Pt(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Pt(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Li(2)O4 tetrahedra. O(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Li(2), and one Pt(1) atom.
Li8PtO6 crystallizes in the trigonal R-3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Pt(1)O6 octahedra, and edges with six equivalent Li(2)O4 tetrahedra. There are three shorter (2.10 Å) and three longer (2.33 Å) Li(1)-O(1) bond lengths. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Pt(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, corners with six equivalent Li(2)O4 tetrahedra,  an edgeedge with one Pt(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. There are a spread of Li(2)-O(1) bond distances ranging from 1.86-2.02 Å. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share corners with twelve equivalent Li(2)O4 tetrahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Li(2)O4 tetrahedra. All Pt(1)-O(1) bond lengths are 2.07 Å. O(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Li(2), and one Pt(1) atom.