Kahlenberg Volker, Schwaier Timo
University of Innsbruck, Institute of Mineralogy & Petrography, Innrain 52, A-6020 Innsbruck, Austria.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):i20. doi: 10.1107/S1600536813006041. Print 2013 Apr 1.
Single crystals of the title compound, K2(HCO3)F·H2O, were obtained as a secondary product after performing flux synthesis experiments aimed at the preparation of potassium rare earth silicates. The basic building unit of the structure is an (HCO3)(H2O)F zigzag chain running parallel to [001]. Both types of anions as well as the water mol-ecules reside on mirror planes perpendicular to [010] at y = 0.25 and y = 0.75, respectively. Linkage between the different constituents of the chains is provided by O-H⋯O and O-H⋯F hydrogen bonding. The K(+) cations are located between the chains and are coordinated by two F and five O atoms in form of a distorted monocapped trigonal prism.
在进行旨在制备钾稀土硅酸盐的助熔剂合成实验后,作为副产物获得了标题化合物K₂(HCO₃)F·H₂O的单晶。该结构的基本构建单元是平行于[001]的(HCO₃)(H₂O)F之字形链。两种类型的阴离子以及水分子分别位于垂直于[010]的镜面平面上,y坐标分别为0.25和0.75。链中不同成分之间的连接通过O-H⋯O和O-H⋯F氢键提供。K⁺阳离子位于链之间,以扭曲的单帽三角棱柱形式由两个F原子和五个O原子配位。