LiCa2ReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Li(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted linear geometry to one Li(1), four equivalent Ca(1), and one Re(1) atom.
LiCa2ReO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Re(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Li(1)-O(1) bond lengths are 2.01 Å. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Ca(1)O12 cuboctahedra, faces with six equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Li(1)O6 octahedra, and faces with four equivalent Re(1)O6 octahedra. All Ca(1)-O(1) bond lengths are 2.76 Å. Re(1) is bonded to six equivalent O(1) atoms to form ReO6 octahedra that share corners with six equivalent Li(1)O6 octahedra and faces with eight equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Re(1)-O(1) bond lengths are 1.89 Å. O(1) is bonded in a distorted linear geometry to one Li(1), four equivalent Ca(1), and one Re(1) atom.