Materials Data on Li3ClO by Materials Project
Li3OCl is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Li–O bond lengths are 1.95 Å. All Li–Cl bond lengths are 2.76 Å. O2- is bonded to six equivalent Li1+ atoms to form OLi6 octahedra that share corners with six equivalent OLi6 octahedra and faces with eight equivalent ClLi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded to twelve equivalent Li1+ atoms to form ClLi12 cuboctahedra that share corners with twelve equivalent ClLi12 cuboctahedra, faces with six equivalent ClLi12 cuboctahedra, and faces with eight equivalent OLi6 octahedra.