Materials Data on Be3Zn4Si3SO12 by Materials Project

Abstract

Be3Zn4Si3SO12 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent ZnSO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.64 Å. Zn2+ is bonded to one S2- and three equivalent O2- atoms to form distorted ZnSO3 tetrahedra that share corners with three equivalent BeO4 tetrahedra, corners with three equivalent ZnSO3 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The Zn–S bond length is 2.35 Å. All Zn–O bond lengths are 2.00 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with four equivalent ZnSO3 tetrahedra. All Si–O bond lengths are 1.65 Å. S2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms. O2- is bonded in a trigonal planar geometry to one Be2+, one Zn2+, and one Si4+ atom.