Materials Data on Na4Al3Si3IO12 by Materials Project

Abstract

Na4Al3Si3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to six equivalent O2- and one I1- atom. There are three shorter (2.38 Å) and three longer (3.01 Å) Na–O bond lengths. The Na–I bond length is 3.15 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 2-coordinate geometry to two equivalent Na1+, one Al3+, and one Si4+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.