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

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).