Resonant scattering and multiple Bragg X-ray diffraction in LaMnO3; a classical view

Published in:

Acta Crystallographica Section A 62,(2006) 459-462;


The mechanism for resonant scattering in LaMnO3 has been the subject of some controversy between two models. Model (A) is based on orbital ordering, whereas model (B) invokes the Jahn-Teller distortion. From the structural point of view, the two models lead to different d-electron densities. The forbidden reflection 300 is turned on by resonance, leading to a well defined scheme for the lobes of the Mn d electrons [ model (A)]. It turns out that the same experimental results could have been interpreted according to model (B). The only difference is that this alternative interpretation would have required a structure factor F-300 of opposite sign. This is a typical example of a phase problem. An experimental technique has been applied for phase determination based on multiple Bragg scattering. This shows that the multiple-beam results are in agreement with model (B), not with model (A), laying to rest a long overdue controversy.


phase problem

Date of this Version

January 2006

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