Materials Data on Li4Be3P3ClO12 by Materials Project

Abstract

Li4Be3P3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Cl1- atom to form LiClO3 tetrahedra that share corners with three equivalent LiClO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent PO4 tetrahedra. All Li–O bond lengths are 2.01 Å. The Li–Cl bond length is 2.46 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.63 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one P5+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.