RbBrF<sub>4</sub> 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 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 %.

Original language	English
Pages (from-to)	2593-2598
Number of pages	6
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	641
Issue number	15
DOIs	https://doi.org/10.1002/zaac.201500647
Publication status	Published - 1 Dec 2015

Keywords

Crystal structure
Density functional calculations
Powder X-ray diffraction
Rubidium
Tetrafluoridobromate

ASJC Scopus subject areas

Inorganic Chemistry

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10.1002/zaac.201500647

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Ivlev, S. I., Karttunen, A. J., Ostvald, R., & Kraus, F. (2015). RbBrF₄ Revisited. Zeitschrift fur Anorganische und Allgemeine Chemie, 641(15), 2593-2598. https://doi.org/10.1002/zaac.201500647

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title = "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 I4/mcm (tI24, KBrF4 structure type) with a = 6.3718(2), c = 11.4934(3) {\AA}, V = 466.63(2) {\AA}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 %.",

keywords = "Crystal structure, Density functional calculations, Powder X-ray diffraction, Rubidium, Tetrafluoridobromate",

author = "Ivlev, {Sergei I.} and Karttunen, {Antti J.} and Roman Ostvald and Florian Kraus",

year = "2015",

month = dec,

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doi = "10.1002/zaac.201500647",

language = "English",

volume = "641",

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T1 - RbBrF4 Revisited

AU - Ivlev, Sergei I.

AU - Karttunen, Antti J.

AU - Ostvald, Roman

AU - Kraus, Florian

PY - 2015/12/1

Y1 - 2015/12/1

N2 - 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 %.

AB - 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 %.

KW - Crystal structure

KW - Density functional calculations

KW - Powder X-ray diffraction

KW - Rubidium

KW - Tetrafluoridobromate

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