RbBrF4 Revisited |
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| Authors: | Sergei I Ivlev Antti J Karttunen Roman Ostvald Florian Kraus |
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| Institution: | 1. Fachbereich Chemie, Philipps‐Universit?t Marburg, Hans‐Meerwein‐Stra?e, 35032 Marburg, Germany;2. Institute of Physics and Technology, Rare, Scattered and Radioactive Element Technology Department, Tomsk Polytechnic University, 30 Lenina avenue, Tomsk, 634050, Russia;3. Department of Chemistry, Aalto University, 00076 Aalto, Finland |
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| 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 I4/mcm (tI24, KBrF4 structure type) with a = 6.3718(2), c = 11.4934(3) Å, V = 466.63(2) Å3, 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 %. |
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| Keywords: | Tetrafluoridobromate Rubidium Powder X‐ray diffraction Crystal structure Density functional calculations |
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