Dataset for the thermodynamic description for the NaF-KF-RbF-ZnF(2) system

NaF-KF-RbF-ZnF(2)体系热力学描述的数据集

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Abstract

This data article includes the supplementary database material for the manuscript "Thermodynamic description for the NaF-KF-RbF-ZnF(2) 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-ZnF(2) 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-ZnF(2) system are demonstrated in this work. Meanwhile, we provide the calculated mixing enthalpy in the binary AF-ZnF(2) (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).

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