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Durham University

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Publication details for Prof. Ivana Evans

I. R. Evans, J. A. K. Howard & R. L. WithersJ. S. O. Evans (2001). Ab initio structure determination of BiPb2VO6 from powder diffraction data. Chemical Communications (19): 1984-1985.

Author(s) from Durham


The crystal structure of BiPb2VO6 has been determined from powder diffraction data using a combination of direct methods and the novel approach of applying simulated annealing methods simultaneously to X-ray and neutron data; BiPb2VO6 is a polar, noncentrosymmetric, second harmonic generation active material and its crystal structure is one of the more complex to be solved ab initio from powder diffraction data.