Materials Data on Be3Ag4P3BrO12 by Materials Project

Abstract

Be3Ag4P3O12Br 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 PO4 tetrahedra. All Be–O bond lengths are 1.65 Å. Ag1+ is bonded in a 4-coordinate geometry to six equivalent O2- and one Br1- atom. There are three shorter (2.45 Å) and three longer (2.92 Å) Ag–O bond lengths. The Ag–Br bond length is 2.57 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Be2+, two equivalent Ag1+, and one P5+ atom. Br1- is bonded in a tetrahedral geometry to four equivalent Ag1+ atoms.