Cu2P2O7 RMC and GSAS data

Data for paper entitled "Phase transition and negative thermal expansion in copper pyrophosphate Cu2P2O7 studied by neutron total scattering and the reverse Monte Carlo method". The zip archive contains three folders PDF: This contains a folder for each temperature. Inside each folder the original neutron scattering data for each bank, the MATLAB program files to convert scattering data to PDFs using the method described in the text, and the output files including the merged scattering data deconvolved from the resolution function and the resultant PDF. REITVELD: The GSAS II files for each temperature. Each file contains all the experimental data. RMC: This contains a folder for each temperature. Inside each folder are 10 resultant configurations and a folder containing the input files for use with RMCprofile.