Abstract
The room temperature structure of Bi 0.75Sr 0.25MnO 3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a ( 1 2 00 ) Pn11 supercell ( a = 11.0286 ( 2 ) Å , b = 7.7351 ( 1 ) Å , c = 5.53419 ( 9 ) Å , and α = 89.894 ( 1 ) ° ) of the underlying Pnma perovskite structure. The best-fit model evidences a 3:1 Mn 3+/Mn 4+charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO 3 type) and charge and ferro-orbitally ordered (YBaMn 2O 6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model.
Published Version
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