在LnSI中,结构稳定性和多态转换 (Ln = 兰坦化物)
Shohei Kawanishi1, Suguru Yoshida1, Hiroki Ubukata1
1Department of Energy and Hydrocarbon Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan. suguru.yoshida0224@gmail.com.
兰化硫酸化物表现出基于兰化物大小的独特晶体结构,从2D形式过渡到3D形式. 阴离子-离子半径比统一了对这些多样化的混合离子化合物结构的理解.
科学领域:
- 材料科学 材料科学 材料科学
- 无机化学 无机化学 有机化学
- 晶体学 晶体学是指结晶学.
背景情况:
- 混合离子化合物由于异体质协调而表现出复杂的晶体结构.
- 兰化硫酸化物 (LnSI) 是一种具有多种结构可能性的材料类.
研究的目的:
- 研究三种化硫酸酸 (LnSI) 多态体之间的结构关系.
- 了解LnSI结构转换的因素,基于兰坦化物大小.
主要方法:
- 实验合成和LnSI多态的表征.
- 分析结构关系和阶段过渡的理论计算.
- 分析阴离子半径比作为多态的描述符.
主要成果:
- 确定了LnSI的三个不同的晶体结构:二维FeOCl型 (Gd-Lu),二维SmSI型 (Pr-Sm) 和三维SRI2型 (La,Ce).
- 观察到的结构转变与胺离子半径和协调号相关.
- 证明了阴离子半径比有效预测Ln大小依赖和压力诱导的多态.
结论:
- 在LnSI中,结构的多样性源于化物大小,导致不同的多态.
- 涉及Ln-I债券重组的马石式转换驱动结构变化.
- 阴离子半径比作为控制和预测LnSI结构的通用参数.
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