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alpha-Bi2Sn2O7 - a 176 atom crystal structure from powder diffraction data

Evans, I.R.; Howard, J.A.K.; Evans, J.S.O.


J.A.K. Howard


Pyrochlore-type bismuth tin oxide, Bi2Sn2O7, is a technologically important material used in applications such as catalysis and gas sensing. Its room temperature structure has been solved by a method of simulated annealing of combined X-ray and neutron diffraction data, followed by Rietveld refinement. With 176 crystallographically independent atoms in the asymmetric unit, it is one of the largest structures solved to-date from powder diffraction data. In addition to the number of unique atoms, additional crystallographic difficulty stems from the fact that the true symmetry of this structure is lower than the apparent metric symmetry of the unit cell.


Evans, I., Howard, J., & Evans, J. (2003). alpha-Bi2Sn2O7 - a 176 atom crystal structure from powder diffraction data. Journal of materials chemistry, 13(9), 2098-2103.

Journal Article Type Article
Publication Date 2003-07
Deposit Date Apr 25, 2007
Journal Journal of Materials Chemistry
Print ISSN 0959-9428
Electronic ISSN 1364-5501
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 13
Issue 9
Pages 2098-2103