Materials Data on Al3Si3Ag4IO12 by Materials Project

Abstract

Ag4Al3Si3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to three equivalent O2- and one I1- atom. All Ag–O bond lengths are 2.46 Å. The Ag–I bond length is 2.75 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 one Ag1+, one Al3+, and one Si4+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Ag1+ atoms.