Materials Data on Na4Al6ClO12 by Materials Project

Abstract

Na4Al6O12Cl crystallizes in the cubic I-43m space group. The structure is three-dimensional. Na is bonded to three equivalent O and one Cl atom to form NaClO3 tetrahedra that share corners with three equivalent NaClO3 tetrahedra and corners with six equivalent AlO4 tetrahedra. All Na–O bond lengths are 2.43 Å. The Na–Cl bond length is 2.80 Å. Al is bonded to four equivalent O atoms to form AlO4 tetrahedra that share corners with four equivalent NaClO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Al–O bond lengths are 1.76 Å. O is bonded in a distorted trigonal planar geometry to one Na and two equivalent Al atoms. Cl is bonded in a tetrahedral geometry to four equivalent Na atoms.