Materials Data on SbSO6 by Materials Project

Abstract

SbSO6 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SbSO6 ribbons oriented in the (1, 0, 1) direction. Sb is bonded to five O atoms to form SbO5 trigonal bipyramids that share corners with two equivalent SO4 tetrahedra and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.92–2.09 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent SbO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.43–1.55 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 distorted bent 120 degrees geometry to one Sb and one S atom. In the third O site, O is bonded in a single-bond geometry to one Sb atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sb and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a water-like geometry to two equivalent Sb atoms.