在低温下对Ba的修饰 BF 2 O H 3 的低温修饰
Evgeny Goreshnik1, Andrii Vakulka2, Gašper Tavčar1
1Department of Inorganic Chemistry and Technology, Jožef Stefan Institute, Jamova 39 1000 Ljubljana, Slovenia.
IUCrData
|November 8, 2023
概括
在低温下确定了二二四酸三水合物的晶体结构. 这项研究揭示了Ba (BF4) 2 (H2O) 3的新单临晶体结构,与其室温或形不同.
科学领域:
- 无机化学 无机化学 有机化学
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
背景情况:
- 二 () 三水合物 (Ba (BF4) 2 (H2O) 3) 呈现不同的晶体形式,取决于温度.
- 了解结构转变对于预测材料性能和应用至关重要.
研究的目的:
- 为了确定 Ba (BF4) 2 (H2O) 3. 3 的低温修饰的晶体结构.
- 为了阐明低温和室温相之间的结构差异.
主要方法:
- 在150K的单晶X射线衍射.
- 分析晶体学数据,包括空间组,单元细胞参数和原子位置.
- 在晶体结构中识别联网.
主要成果:
- Ba (BF4) 2 (H2O) 3的低温阶段在单临床空间组P21.21中结晶.
- 低温阶段的单位电池参数:a = 7.0550(4) Å,b = 7.1706(3) Å,c = 9.4182(6) Å,β = 109.295(7) °,V = 449.68(5) Å3,Z = 2. 低温阶段的单位电池参数是:a = 7.0550(4) Å,b = 7.1706(3) Å,c = 9.4182(6) Å,β = 109.295(7) °,V = 449.68(5) Å3,Z = 2.
- 该结构具有O-HF和O-HO的键,其中一个水分子表现出混乱.
结论:
- 低温阶段的Ba ((BF4) 2 ((H2O) 3) 与室温的形相比,呈现出明显的单临床结构.
- 结合在稳定低温晶体结构方面发挥着重要作用.
- 观察到的结构转变突出显示了二三酸的温度依赖的多态性.
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