Comparison of structural parameters for Zn4-xCdxSb3 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_4-xCd_xSb₃ 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 Zn₄Sb₃ but also for the whole compositional range of the Zn-rich region of the Zn_4-xCd_xSb₃ compounds. The purities and densities of the bulk crystals exceeded approximately 96 mass% and 95% of XRD density, respectively.