Unravelling the structural rules of antiperovskites and their derivatives

在过去的一年里，我们通过高压和高温合成的方法发现了几个新的反钙钛矿。对于不同的组成，评价了组成对反钙钛矿结构的影响。我们报道了Na3H(ZnH4)的结构和性质，它呈现出高度扭曲的结构，在这个新的结构中，不同的阴离子和聚阴离子已经加入到反钙钛矿骨架中。用同步加速器和中子粉末衍射法测定了新的晶体结构。Kuwabara教授研究了我们的材料产生扭曲的原因以及离子迁移的机制。我们与宫原教授合作研究了我们材料的离子导电性。

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.