RbBrF4 Revisited

Abstract Rubidium tetrafluoridobromate(III) was synthesized and structurally characterized. The compound is isotypic to sodium and potassium tetrafluoridobromate(III), and crystallizes in the tetragonal space group I 4/ mcm ( tI 24, KBrF 4 structure type) with a = 6.3718(2), c = 11.4934(3) Å, V = 466.63(2) Å 3 , Z = 4, at T = 293 K. Additionally we investigated the compound by means of IR and Raman spectroscopy as well as theoretical studies. The data obtained by quantum chemical calculations confirm the crystal structure, and also the atomic distances and angles with an average deviation of 2.2 to 2.7 %.