Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to six equivalent Li(1) atoms to form OLi6 octahedra that share corners with six equivalent O(1)Li6 octahedra and faces with eight equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to twelve equivalent Li(1) atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent Cl(1)Li12 cuboctahedra, faces with six equivalent Cl(1)Li12 cuboctahedra, and faces with eight equivalent O(1)Li6 octahedra.
Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. Both Li(1)-O(1) bond lengths are 1.95 Å. All Li(1)-Cl(1) bond lengths are 2.76 Å. O(1) is bonded to six equivalent Li(1) atoms to form OLi6 octahedra that share corners with six equivalent O(1)Li6 octahedra and faces with eight equivalent Cl(1)Li12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded to twelve equivalent Li(1) atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent Cl(1)Li12 cuboctahedra, faces with six equivalent Cl(1)Li12 cuboctahedra, and faces with eight equivalent O(1)Li6 octahedra.