Journal of Applied Crystallography

Volume 46, Part 4 (August 2013)


research papers



J. Appl. Cryst. (2013). 46, 1081-1084    [ doi:10.1107/S0021889813015756 ]

A new mechanism of anionic substitution in fluoride borates

S. V. Rashchenko, T. B. Bekker, V. V. Bakakin, Y. V. Seryotkin, A. E. Kokh, P. Gille, A. I. Popov and P. P. Fedorov

Abstract: A comprehensive study of the BaF2-Ba3(BO3)2 phase diagram has revealed a significant difference between the two intermediate phases Ba5(BO3)3F and Ba7(BO3)4-yF2+3y. The latter exhibited (BO3)3- [left right arrow] 3F- anionic substitution which, unusually, strongly influences the solidus temperature. A comparison of the Ba5(BO3)3F and Ba7(BO3)4-yF2+3y crystal structures, along with consideration of other compounds demonstrating (BO3)3- [left right arrow] 3F- isomorphism, allows for the disclosure of the mechanism of (BO3)3- [left right arrow] 3F- heterovalent anionic substitution in fluoride borates via [(BO3)F]4- tetrahedral groups being replaced by four fluoride anions. No exception to this mechanism has been discovered among all known phases with (BO3)3- [left right arrow] 3F- substitution.

Keywords: anionic isomorphism; fluoride borates; fluorine-fluorine interaction.


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