Li4Al3Si3O12Cl crystallizes in the cubic P-43n space group. Li(1) is bonded to three equivalent O(1) and one Cl(1) atom to form LiClO3 tetrahedra that share corners with three equivalent Li(1)ClO3 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Li(1)ClO3 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)ClO3 tetrahedra and corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms.
Li4Al3Si3O12Cl crystallizes in the cubic P-43n space group. Li(1) is bonded to three equivalent O(1) and one Cl(1) atom to form LiClO3 tetrahedra that share corners with three equivalent Li(1)ClO3 tetrahedra, corners with three equivalent Al(1)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. All Li(1)-O(1) bond lengths are 2.05 Å. The Li(1)-Cl(1) bond length is 2.58 Å. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent Li(1)ClO3 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. All Al(1)-O(1) bond lengths are 1.77 Å. Si(1) is bonded to four equivalent O(1) atoms to form SiO4 tetrahedra that share corners with four equivalent Li(1)ClO3 tetrahedra and corners with four equivalent Al(1)O4 tetrahedra. All Si(1)-O(1) bond lengths are 1.64 Å. O(1) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. Cl(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms.