Materials Data on FeBiO3 by Materials Project

BiFeO3 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules; two Bi ribbons oriented in the (0, 0, 1) direction; and two FeO ribbons oriented in the (0, 0, 1) direction. In each Bi ribbon, Bi3+ is bonded in a distorted linear geometry to two equivalent Bi3+ atoms. Both Bi–Bi bond lengths are 2.95 Å. In each FeO ribbon, Fe3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.82 Å. O2- is bonded in a water-like geometry to two equivalent Fe3+ atoms.