<i>PASCal</i>: a principal axis strain calculator for thermal expansion and compressibility determination
<i>PASCal</i>: a principal axis strain calculator for thermal expansion and compressibility determination
This article describes a web-based tool ( PASCal ; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies, PASCal is used to reanalyse previously published lattice parameter …