利用理论与实验结合确定WB2的晶体结构

过渡金属硼化物一直作为多功能硬质材料被广泛应用于工业生产中，但目前尚有一些材料的晶体结构受到争议。这些材料利用常规的测试方法（XRD、EDS等） 不能对其进行区分，需要利用复杂且昂贵的测试手段来确定。合成纯相的材料也是一个难题，这对样品晶体结构的确定带来了更大的麻烦。利用高温高压法合成了曾经具有争议晶体结构的WB₂。利用理论和实验相结合的方法确定了其晶体结构为WB₂而不是W₂B₅。 此种方法对确定具有争议晶体结构材料的晶体结构具有重要的指导意义。

Determining the Crystal Structure of WB2 by Using a Method Combined Theory with Experiment

Transition metal borides have been used widely as multi-functional hard materials in industrial production. However, the crystal structure of some materials is still controversial. These materials can’t be distinguished by conventional test methods (XRD, EDS, etc.). The distinguished test method are complex and expensive. But, synthesizing pure phase materials is also a challenge, which brings more trouble to the determination of the crystal structure of the sample. In this paper, WB₂ with controversial crystal structure was synthesized by high temperature and high pressure method. The crystal structure was determined to be WB₂ instead of W₂B₅ by the combination of theory and experiment. This method is important to determine the crystal structure of controversial crystal structure materials.