Combined powder neutron and X-ray diffraction study of charge and orbital order in Bi0.75Sr0.25MnO3 |
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| Authors: | RJ Goff JP Attfield |
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| Institution: | a Centre for Science at Extreme Conditions, University of Edinburgh, Erskine Williamson Building, King's Buildings, Mayfield Road, Edinburgh EH9 3JZ, UK
b Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK |
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| Abstract: | The room temperature structure of Bi0.75Sr0.25MnO3 has been fitted to high-resolution synchrotron X-ray and time-of-flight neutron powder diffraction data. Constrained structural models were refined using a  Pn11 supercell ( ,  ,  , and α=89.894(1)°) of the underlying Pnma perovskite structure. The best-fit model evidences a 3:1 Mn3+/Mn4+charge ordering with only 30% of the ideal separation of bond valence sums. An ordered intergrowth of antiferro-orbitally ordered (LaMnO3 type) and charge and ferro-orbitally ordered (YBaMn2O6 type) blocks is observed. Off-centre Bi/Sr displacements are ferroelectrically ordered in this model. |
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| Keywords: | Charge order Orbital order Manganite perovskites X-ray diffraction Neutron diffraction |
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