Publication details for Prof. Ivana EvansI. 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.
- Publication type: Journal Article
- Further publication details on publisher web site
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.