Materials Data on K4Al3Si3ClO12 by Materials Project

Abstract

K4Al3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to six equivalent O2- and one Cl1- atom. There are three shorter (2.79 Å) and three longer (2.92 Å) K–O bond lengths. The K–Cl bond length is 3.02 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent K1+ atoms.