J. Appl. Cryst. (2013). 46, 1081-1084 [ doi:10.1107/S0021889813015756 ]
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- 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- 3F- isomorphism, allows for the disclosure of the mechanism of (BO3)3- 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- 3F- substitution.
Keywords: anionic isomorphism; fluoride borates; fluorine-fluorine interaction.
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