Reduced partition function ratios of iron, magnesium, oxygen, and silicon isotopes in olivine: A DFT and DFT + U study

Data package associated with the manuscript “Reduced partition function ratios of iron, magnesium, oxygen, and silicon isotopes in olivine: A DFT and DFT + U study”. The data include bond lengths and β-factors depicted in the figures in the main text and supplementary material, as well as the calculated crystal data and phonon frequencies for all the minerals investigated in the present study.