Materials Data on Al4As3O23 by Materials Project

Abstract

(Al4As3O16)2(O2)7 crystallizes in the cubic P-43m space group. The structure is three-dimensional and consists of seven water molecules and one Al4As3O16 framework. In the Al4As3O16 framework, Al is bonded to six O atoms to form AlO6 octahedra that share corners with three equivalent AsO4 tetrahedra and edges with three equivalent AlO6 octahedra. There is three shorter (1.85 Å) and three longer (1.96 Å) Al–O bond length. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All As–O bond lengths are 1.71 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one Al and one As atom.