Our measurements have much higher resolution and extend out further in Q which improves the quality of real space PDF measurements. Our PDF measurements contain the same two large peaks at 1.5 Å and 2.5 Å with slight difference in position and intensity. Additionally, we resolve the small peak at 1.9 Å that was displayed with dashed lines and attributed as artifacts from their limited Q-range. The results of the total structure factor of FLiBe at 550 °C and 700 °C from neutron measurements are included in Fig. , compared with corresponding results from AIMD and NNMD simulations. Using the Fourier transform in Eq. ( ), the measured structure factor is used to calculate the PDF in real space. The partial structure factor results from NNMD simulations shown in Fig. were weighted using Eq. ( ) and the corresponding neutron scattering lengths to produce the total g n (r) and S n (Q) and directly compare with experiments.