Abstract
Single crystals of K[BrF4], potassium tetrafluoridobromate(III), were grown from a solution of KHF2 in bromine trifluoride. The current report is the first refinement of the crystal structure of K[BrF4] using single-crystal X-ray diffraction data. In comparison with previous refinements from powder data, the fractional coordinates of the F atom were determined with higher precision, and anisotropic displacement parameters were refined for all atoms. The structure contains square-planar [BrF4]− anions. The coordination polyhedron of the potassium cation is a square antiprism.
Highlights
Single crystals of K[BrF4], potassium tetrafluoridobromate(III), were grown from a solution of KHF2 in bromine trifluoride
The current report is the first refinement of the crystal structure of K[BrF4] using single-crystal X-ray diffraction data
We report our results of the crystal structure determination of K[BrF4] using single-crystal X-ray diffraction data at 100 K
Summary
The first attempt to elucidate the crystal structure of K[BrF4] was carried out by Siegel using powder X-ray diffraction data (Siegel, 1956) He could index the powder pattern in a tetragonal cell, space group I4/mcm, with a = 6.162 (2), c = 11.081 (2) A , and the [BrF4]À anion having a tetrahedral configuration. The diffraction data of Siegel were reinterpreted by Sly & Marsh (1957) They kept the unit cell but assigned different positions to the atoms within the same group type, yielding a more reasonable squareplanar [BrF4]À anion. This shape of the anion was later confirmed by Edwards and Jones using powder neutron diffraction data [a = 6.17 (1), c = 11.10 (1) A ; Edwards & Jones, 1969]. K[BrF4] 195.01 Tetragonal, I4/mcm 100 6.0999 (6), 11.0509 (14) 411.19 (10) 4 Mo K 10.95 0.23 Â 0.15 Â 0.13
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