Materials Data on Be3Si3C4SO12 by Materials Project

Abstract

Be3Si3C4SO12 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 SiO4 tetrahedra. All Be–O bond lengths are 1.63 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All Si–O bond lengths are 1.65 Å. C2+ is bonded in a distorted trigonal non-coplanar geometry to one S2- and three equivalent O2- atoms. The C–S bond length is 2.36 Å. All C–O bond lengths are 1.88 Å. S2- is bonded in a tetrahedral geometry to four equivalent C2+ atoms. O2- is bonded in a trigonal planar geometry to one Be2+, one Si4+, and one C2+ atom.