Unravelling the structural rules of antiperovskites and their derivatives

在过去的一年中，我们通过高压高温合成的方法发现了几种新的反钙钛矿。研究了不同成分对反钙钛矿结构的影响。我们发表了具有高度畸变结构的Na3H（ZnH4）的结构和性质。从这种新结构中，不同的阴离子和聚阴离子被纳入到反钙钛矿框架中。利用同步加速器和中子粉末衍射确定了新的晶体结构。Kuwabara教授研究了材料畸变的起源以及离子迁移的机制。我们与Miyahara教授合作研究了材料的离子电导率。

In the past fiscal year, we have discovered several new antiperovskites by means of high pressure and high temperature synthesis. The role of composition on the structure of the antiperovskites has been evaluated for different compositions. We have published the structure and properties of Na3H(ZnH4), which presents a highly distorted structure.From this new structure, different anions and polyanions have been incorporated in the antiperovskite framework. The new crystal structures have been determined using synchrotron and neutron powder diffraction. The origin of the distortions of our materials as well as the mechanism for ionic migration have been studied by Prof. Kuwabara. The ionic conductivity of our materials has been investigated in collaboration with Prof. Miyahara.