# Development of a CALPHAD Thermodynamic Database for Pu-U-Fe-Ga Alloys
## 4 Crystal Structure  
The crystallographic information for the unary, binary and ternary systems described above are listed in Tables 1-3 respectively, the elemental crystal structures are also derived in the text. Information  
\begin{table}
\begin{tabular}{c c c c} \hline \hline
**Phase** & **Parameter** & **Kurata [23]\({}^{\star}\)** & **This Work** \\ \hline Liquid & \({}^{6}\)Li\({}_{\rm Fe,Pu}\) & \(-35.332\pm 27.530\times\) T & \(-23.000\pm 21\times\) T \\  & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & \(-8149.0\) & 380 \\  & \({}^{2}\)Li\({}_{\rm Fe,Pu}\) & \(-933.0\) & 2680 \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & \(-46,128\pm 013.439\times\) T & \(-30.6139\pm 23.281\times\) T \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & \(-11,776\) & \(-57,241.80\pm 41.34\times\) T \\  & \({}^{2}\)Li\({}_{\rm Fe,U}\) & \(9258.5\) & \(-19806\pm 7.3308\times\) T \\  & \({}^{0}\)Li\({}_{\rm Fe,Pu}\) & \(10,000\)\({}^{\star}\) & \(-140\) \\  & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & N/A & \(-9500\) \\  & \({}^{2}\)Li\({}_{\rm Fe,Pu}\) & N/A & \(-10,000\) \\  & \({}^{2}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-86,500.48\pm 18\times\) T \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-15,363.43\times\) T \\  & \({}^{2}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-13,000\) \\ BCC (\(\epsilon\)-Po, Y-U) & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & 13,000 & 7295 \\  & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & 8500 & 12,150 \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & 1204.5 & 53,000 \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & 0 & 66,000 \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-104,698\pm 26.3\times\) T \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(8000\pm 19.7\times\) \\ FCC (\(\epsilon\)-Po, Y-Fe) & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & 18,000 & 11,250 \\  & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & 3000 & 7250 \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & \(-3955.3\) & 18,429.0 \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-107,800\pm 28\times\) T \\ TETRACONAL\_U & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(19,800\pm 24\times\) T \\ (B-U) & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & 30,000 & \(-8400\) \\ (Pu,U)Fe & \(-61902+26.18\times\) T + CFULIQ + 2\(\times\) CFELIQ & \(-15890+0.53\times\) T + \(0.333\times\) CHSRFU + \(0.667\times\) CHESEFE \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & \(-106,537\pm 33.251\times\) CULIQ + 2\(\times\) CFELIQ & \(-21,061.115\pm\)0.28194 \(\times\) T + \(0.333\times\) CHSRFU + \(0.667\times\) CHESEFE \\  & \({}^{0}\)Li\({}_{\rm Fe,Pu}\) & \(-91,210\pm 906.7\times\) T + \(6\times\) CFULIQ + GLIQEF & \(-17,850.312\times\) T + \(6\times\) CHESEFU + CHESEFE \\  & \({}^{1}\)Li\({}_{\rm Fe,U}\) & \(-149,660\pm 88.270\times\) T + \(6\times\) CFULIQ + GLIQEF & \(-49,520.86\times\)-3709854 \(\times\) T + \(6\times\) CHESEFE \\  & \({}^{1}\)Li\({}_{\rm Fe,Pu}\) & 0 & \(-4500\) \\ Fe\({}_{\rm Ca}\) & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-25,875\pm 43.7\times\) T + \(0.75\times\) CHESEFE + \(0.25\times\) CHESEFE \\  & \({}^{1}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-33,944\pm 33.7\times\) T + \(0.546\times\) CHESEFE + \(0.454\times\) CHESEGA \\  & \({}^{2}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-33,945\pm 30.7\times\) + \(0.429\times\) CHESEFE + \(0.571\times\) CHESEGA \\ Fe\({}_{\rm Ca}\) & \({}^{2}\)Li\({}_{\rm Fe,Ca}\) & N/A & \(-32,725\pm 01.7\times\) C + \(0.25\times\) CHESEFE + \(0.75\times\) CHESEGA \\ \hline \hline \end{tabular}  
\({}^{\star}\): Ternary parameter of Kurata [3].  
\end{table}
Table 4: Parameters for Pu-Fe, U-Fe, Pu-U-Fe and Fe-Ga systems.