Neutron Powder Diffraction Study of the Crystal and Magnetic Structures of BiNiO3at Low Temperature.

Abstract The crystal and magnetic structures of the charge ordered perovskite BiNiO3 have been studied at temperatures from 5 to 300 K using neutron diffraction. Rietveld analysis of the data shows that the structure remains triclinic (space group P 1 ¯ ) throughout the whole temperature range. Bond-valence sum calculations based on the Bi–O and Ni–O bond distances confirm that the charge distribution is Bi3+0.5Bi5+0.5Ni2+O3 down to 5 K. The magnetic cell is identical to that of the triclinic superstructure and a G-type antiferromagnetic model gives a good fit to the magnetic intensities, with an ordered Ni2+ moment of 1.76(3) μB at 5 K. However, BiNiO3 is ferrimagnetic due to the inexact cancellation of opposing, inequivalent moments in the low symmetry cell.