Abstract

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

Highlights

  • Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data

  • We confirmed that the structure contains square-planar [BrF4]À anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner

  • Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al

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Summary

Structure description

The first attempt to determine the lattice parameters of rubidium tetrafluoridobromate(III) from powder X-ray diffraction data was undertaken by Popov et al (1987). They reported the following tetragonal I-centered unit cell: a = 6.401 (3), c = 11.1538 (7) A , V = 472.7 (6) A 3 at room temperature. The crystal-structure model obtained from powder X-ray diffraction data [I4/mcm, a = 6.37181 (15), c = 11.4934 (3) A , V = 466.63 (2) A 3 at 293 K; Ivlev et al, 2015] revealed isotypism to KBrF4. RbBrF4 241.38 Tetragonal, I4/mcm 100 6.2991 (5), 11.4659 (10) 454.95 (8) 4 Mo K 19.61 0.19 Â 0.15 Â 0.03

Data collection Diffractometer Absorption correction
No of reflections
Synthesis and crystallization
Data collection
Special details
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