LiYbO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six O(1,1,1) atoms to form LiO6 octahedra that share corners with two equivalent Yb(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Yb(1) is bonded to six O(1,1,1) atoms to form YbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Yb(1)O6 octahedra, edges with four equivalent Yb(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.
LiYbO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six O(1,1,1) atoms to form LiO6 octahedra that share corners with two equivalent Yb(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with eight equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two shorter (2.17 Å) and four longer (2.28 Å) Li(1)-O(1,1,1) bond lengths. Yb(1) is bonded to six O(1,1,1) atoms to form YbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Yb(1)O6 octahedra, edges with four equivalent Yb(1)O6 octahedra, and edges with eight equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are four shorter (2.28 Å) and two longer (2.32 Å) Yb(1)-O(1,1,1) bond lengths. There are five inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There is one shorter (2.17 Å) and two longer (2.28 Å) O(1)-Li(1) bond lengths. In the third O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two shorter (2.28 Å) and one longer (2.32 Å) O(1)-Yb(1) bond length. In the fourth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There is one shorter (2.17 Å) and two longer (2.28 Å) O(1)-Li(1) bond lengths. There are two shorter (2.28 Å) and one longer (2.32 Å) O(1)-Yb(1) bond length. In the fifth O site, O(1) is bonded to three equivalent Li(1) and three equivalent Yb(1) atoms to form a mixture of corner and edge-sharing OLi3Yb3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°.