Materials Data on ErBi2BrO4 by Materials Project

Abstract

ErBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Er–O bond lengths are 2.38 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.25 Å. All Bi–Br bond lengths are 3.50 Å. O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OEr2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.