Li3Co2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with five equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. Co(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Co(1), and one Sb(1) atom to form OLi3Co2Sb octahedra that share  a cornercorner with one O(1)Li3Co2Sb octahedra,  a cornercorner with one O(3)Li3CoSb2 octahedra, corners with four equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one O(3)Li3CoSb2 octahedra, corners with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Sb(1) atoms to form OLi3CoSb2 octahedra that share  a cornercorner with one O(1)Li3Co2Sb octahedra,  a cornercorner with one O(2)Li3Co3 octahedra, corners with four equivalent O(3)Li3CoSb2 octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°.
Li3Co2SbO6 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Both Li(1)-O(2) bond lengths are 1.98 Å. All Li(1)-O(3) bond lengths are 2.31 Å. In the second Li site, Li(2) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with five equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. The Li(2)-O(3) bond length is 2.19 Å. Both Li(2)-O(2) bond lengths are 2.09 Å. There is one shorter (2.06 Å) and two longer (2.39 Å) Li(2)-O(1) bond lengths. Co(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-17°. The Co(1)-O(3) bond length is 2.29 Å. Both Co(1)-O(1) bond lengths are 2.25 Å. There is one shorter (1.97 Å) and two longer (2.09 Å) Co(1)-O(2) bond lengths. Sb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both Sb(1)-O(1) bond lengths are 1.95 Å. All Sb(1)-O(3) bond lengths are 2.07 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2), two equivalent Co(1), and one Sb(1) atom to form OLi3Co2Sb octahedra that share  a cornercorner with one O(1)Li3Co2Sb octahedra,  a cornercorner with one O(3)Li3CoSb2 octahedra, corners with four equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(2)Li3Co3 octahedra,  a cornercorner with one O(3)Li3CoSb2 octahedra, corners with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), one Co(1), and two equivalent Sb(1) atoms to form OLi3CoSb2 octahedra that share  a cornercorner with one O(1)Li3Co2Sb octahedra,  a cornercorner with one O(2)Li3Co3 octahedra, corners with four equivalent O(3)Li3CoSb2 octahedra, edges with four equivalent O(1)Li3Co2Sb octahedra, edges with four equivalent O(2)Li3Co3 octahedra, and edges with four equivalent O(3)Li3CoSb2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°.