Materials Data on Sr(BiO2)2 by Materials Project

Abstract

SrBi2O4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two SrBi2O4 sheets oriented in the (1, 0, 0) direction. Sr2+ is bonded to seven O2- atoms to form distorted edge-sharing SrO7 hexagonal pyramids. There are a spread of Sr–O bond distances ranging from 2.52–2.87 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.30 Å. In the second Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.05–2.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three Bi3+ atoms to form distorted OSrBi3 trigonal pyramids that share corners with three OSr3Bi tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, and edges with three OSr3Bi tetrahedra. In the second O2- site, O2- is bonded to three equivalent Sr2+ and one Bi3+ atom to form distorted OSr3Bi tetrahedra that share corners with nine OSr3Bi tetrahedra, corners with two equivalent OSrBi3 trigonal pyramids, edges with three OSr3Bi tetrahedra, and an edgeedge with one OSrBi3 trigonal pyramid. In the third O2- site, O2- is bonded to three equivalent Sr2+ and one Bi3+ atom to form distorted OSr3Bi tetrahedra that share corners with nine OSr3Bi tetrahedra, a cornercorner with one OSrBi3 trigonal pyramid, edges with three OSr3Bi tetrahedra, and edges with two equivalent OSrBi3 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms.