Materials Data on Sr(SO5)2 by Materials Project

Abstract

Sr(SO5)2 crystallizes in the hexagonal P6_2 space group. The structure is one-dimensional and consists of one Sr(SO5)2 ribbon oriented in the (0, 0, 1) direction. Sr is bonded in a 4-coordinate geometry to six O atoms. There are four shorter (2.47 Å) and two longer (3.23 Å) Sr–O bond lengths. S is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.44 Å) and two longer (1.48 Å) S–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Sr and one S atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Sr and one S atom. 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 single-bond geometry to one Sr and one O atom.