Research Data supporting "Giant tunable barocaloric effects using guest-molecule adsorption in a metal-organic framework"

Raw data for low-temperature x-ray diffraction measurements of desolvated and nitrogenated ZIF-4(Zn), along with TOPAS refinement input files. The data were collected using a Bruker D8 Advance diffractometer in Bragg Brentano reflection geometry using Cu K𝛼 radiation (λ = 1.5406 Α). The three main folders contain raw diffraction data (.xy files) for (1) desolvated (DS) ZIF-4 on cooling, (2) nitrogenated (N2) ZIF-4 on cooling and (3) nitrogenated (N2) ZIF-4 on heating. The TOPAS input files (.inp files) in each folder are for refinements of different temperature ranges - for both N2 ZIF-4 folders, part 1 is the refinement of the low temperature regime (below the transition temperature), and part 2 is the refinement for the high-temperature regime (above the transition temperature). For DS-ZIF-4, one .inp file is for the low-temperature regime (part 2), and the second .inp file is for the entire temperature sequence (all).