Unravelling the structural rules of antiperovskites and their derivatives

在过去的一个财政年度，我们发现了几个新的反钙钛矿通过高压和高温合成。已经针对不同的组合物评估了组合物对反钙钛矿结构的作用。我们已经报道了Na_3H（ZnH_4）的结构和性质，它呈现出一种高度扭曲的结构，从这种新的结构中，不同的阴离子和聚阴离子被引入到反钙钛矿结构中。新的晶体结构已确定使用同步辐射和中子粉末衍射。Kuwabara教授研究了我们的材料的扭曲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.