Abstract

The crystal and magnetic structures of the charge ordered perovskite BiNiO 3 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 Bi 3+ 0.5Bi 5+ 0.5Ni 2+O 3 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 Ni 2+ moment of 1.76(3) μ B at 5 K. However, BiNiO 3 is ferrimagnetic due to the inexact cancellation of opposing, inequivalent moments in the low symmetry cell.

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