Materials Data on SrBiBrO2 by Materials Project

Abstract

SrBiO2Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Sr–O bond lengths are 2.50 Å. There are two shorter (3.44 Å) and two longer (3.56 Å) Sr–Br bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.23 Å. O2- is bonded to two equivalent Sr2+ and two equivalent Bi3+ atoms to form OSr2Bi2 tetrahedra that share corners with four equivalent OSr2Bi2 tetrahedra, corners with eight equivalent BrSr4 tetrahedra, and edges with four equivalent OSr2Bi2 tetrahedra. Br1- is bonded to four equivalent Sr2+ atoms to form distorted BrSr4 tetrahedra that share corners with four equivalent BrSr4 tetrahedra, corners with sixteen equivalent OSr2Bi2 tetrahedra, and edges with four equivalent BrSr4 tetrahedra.