Materials Data on CdBiBrO2 by Materials Project

Abstract

CdBiO2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Cd–O bond lengths are 2.29 Å. All Cd–Br bond lengths are 3.38 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.26 Å. All Bi–Br bond lengths are 3.60 Å. O2- is bonded to two equivalent Cd2+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OCd2Bi2 tetrahedra. Br1- is bonded in a 8-coordinate geometry to four equivalent Cd2+ and four equivalent Bi3+ atoms.