Containing: The computational and experimental data geenerated for the article. Lattice Calculations - I/O Intrinsic Synthons - Output Only Extrinsic Synthons - I/O Morphology Prediction - I/O XRD - Full scan data as well as summary DSC - Included data and graphs Optical Microscopy - Image from published paper and extra. Each folder contains a README.txt file for the appropriate folder.