Hot Article: Le Bail fitting used to extract single-crystal diffraction data

A team of researchers have determined the structure of metastable compound Bi2MnxAl7−xO14, an intermediate phase in the decomposition of mullite-Bi2MnxAl4-xO9+δ, using a strategy  that included the use of a charge-flipping algorithm and Monte-Carlo based simulations.  The strategy may be particularly useful in situations where it is difficult to get high quality crystals.

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Mullite-derivative Bi2MnxAl7−xO14 (x ~ 1): structure determination by powder X-ray diffraction from a multi-phase sample
Tao Yang,  Vaclav Petricek,  Wei Wan,  Zidong Wei and Junliang Sun
Dalton Trans., 2012
DOI: 10.1039/C2DT11855F

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