Materials Data on Al5Sb3O16 by Materials Project

Abstract

Al5Sb3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with six SbO6 octahedra and edges with three AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four equivalent SbO6 octahedra and edges with four equivalent AlO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There is two shorter (1.83 Å) and four longer (1.96 Å) Al–O bond length. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with ten AlO6 octahedra and an edgeedge with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with eight equivalent AlO6 octahedra and edges with two equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There is two shorter (1.96 Å) and four longer (2.02 Å) Sb–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Al and one Sb atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Al and one Sb atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Al atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Al and two Sb atoms. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent Al and one Sb atom.