用Rietveld方法分析Zn/sub - 4-x/Cd/sub -x/ Sb/sub - 3/化合物的结构参数比较

T. Souma, M. Ohtaki
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引用次数: 0

摘要

采用真空铸造法合成的9个体晶,采用Rietveld法对富锌区Zn/sub - 4-x/Cd/sub -x/ Sb/sub - 3/体系的3IS模型和Mayer模型的详细结构参数进行了比较。3IS模型不仅对未掺杂Zn/sub - 4/Sb/sub - 3/化合物的Rietveld分析具有较好的拟合效果,而且对Zn/sub - 4-x/Cd/sub -x/ Sb/sub - 3/化合物富锌区的整个组成范围也具有较好的拟合效果。块状晶体的纯度和密度分别超过了XRD密度的96%和95%。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Comparison of structural parameters for Zn/sub 4-x/Cd/sub x/Sb/sub 3/ compounds analyzed by the Rietveld method using two crystallographic models
A comparison of detailed structural parameters between the 3IS and Mayer models for the Zn/sub 4-x/Cd/sub x/Sb/sub 3/ system in the Zn-rich region has been successfully performed by the powder XRD study with the Rietveld method using 9 bulk crystals synthesized by vacuum casting method without annealing. The 3IS model gives a better fitting on the Rietveld analysis not only for the undoped Zn/sub 4/Sb/sub 3/ but also for the whole compositional range of the Zn-rich region of the Zn/sub 4-x/Cd/sub x/Sb/sub 3/ compounds. The purities and densities of the bulk crystals exceeded approximately 96 mass% and 95% of XRD density, respectively.
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