LiZrO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with four equivalent Zr(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. O(1) is bonded to three equivalent Li(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OLi3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.
LiZrO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. All Li(1)-O(1) bond lengths are 2.18 Å. Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with four equivalent Zr(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are four shorter (2.18 Å) and two longer (2.29 Å) Zr(1)-O(1) bond lengths. O(1) is bonded to three equivalent Li(1) and three equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OLi3Zr3 octahedra. The corner-sharing octahedral tilt angles range from 0-3°.