Ivlev Sergei I, Kraus Florian
Philipps-Universität Marburg, Fachbereich Chemie, Hans-Meerwein-Str. 4, 35032 Marburg, Germany.
IUCrdata. 2021 Jul 20;6(Pt 7):x210735. doi: 10.1107/S2414314621007355. eCollection 2021 Jul.
Single crystals of barium bis-[tetra-fluorido-bromate(III)], Ba[BrF], were obtained in the form of tiny blocks. Crystal-structure refinement of Ba[BrF] from single-crystal X-ray diffraction data confirmed the previous model obtained on the basis of powder data [Ivlev (2014 ▸). . pp. 6261-6267], but with all atoms refined with anisotropic displacement parameters. The crystal structure consists of two symmetry-independent barium cations that are each coordinated by twelve fluorine atoms, forming edge-sharing polyhedra, and an almost square-planar [BrF] anion. The compound crystallizes in the Ba[AuF] structure type.
双[四氟溴酸根(III)]钡单晶（Ba[BrF₄]）以微小块状形式获得。通过单晶X射线衍射数据对Ba[BrF₄]进行晶体结构精修，证实了先前基于粉末数据得到的模型[伊夫列夫（2014▸）……第6261 - 6267页]，但所有原子均采用各向异性位移参数进行精修。晶体结构由两个具有对称独立性的钡阳离子组成，每个钡阳离子由十二个氟原子配位，形成共边多面体，以及一个近乎平面正方形的[BrF₄]阴离子。该化合物以Ba[AuF₄]结构类型结晶。
