Materials Data on AlSO10 by Materials Project

Abstract

AlSO6(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of eight oxygen molecules and one AlSO6 framework. In the AlSO6 framework, Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.87 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Al and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Al and one O atom. The O–O bond length is 1.39 Å. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom. The O–O bond length is 1.38 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Al and one S atom.