Dataset for the thermodynamic description for the NaF-KF-RbF-ZnF2 system

Huiqin Yin; Shuang Wu; Xueliang Wang; Long Yan; Wenguan Liu; Zhongfeng Tang

doi:10.1016/j.dib.2018.10.087

Dataset for the thermodynamic description for the NaF-KF-RbF-ZnF₂ system

Data Brief. 2018 Nov 5:22:1088-1093. doi: 10.1016/j.dib.2018.10.087. eCollection 2019 Feb.

Authors

Huiqin Yin¹, Shuang Wu¹, Xueliang Wang¹, Long Yan¹, Wenguan Liu¹, Zhongfeng Tang¹

Affiliation

¹ Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, PR China.

Abstract

This data article includes the supplementary database material for the manuscript "Thermodynamic description for the NaF-KF-RbF-ZnF₂ system", (Tang et al., 2018). We present all the thermodynamic parameters used and optimized model parameters of the thermodynamic database of the NaF-KF-RbF-ZnF₂ quaternary system, by which researchers can obtain the calculated phase diagrams. What׳s more, the comparison of calculations with experimental lattice constants of all compounds and relative deviations of unit cell parameters between before and after structure optimization for the NaF-KF-RbF-ZnF₂ system are demonstrated in this work. Meanwhile, we provide the calculated mixing enthalpy in the binary AF-ZnF₂ (A=Na, K and Rb) and AF-RbF (A=Na and K) system, which are helpful for researchers to better understand the system. These supplementary databases are most useful in understanding the manuscript (Tang et al., 2018).