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

Published: 20 February 2024| Version 1 | DOI: 10.17632/nr5fh8y7b8.1
Contributors:
Shanqi Liu, Yongbing Li, Zhiming Yang, Huiquan Tian, Jianming Liu

Description

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 for all the minerals investigated in the present study.

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Institutions

Sun Yat-Sen University

Categories

Isotope Geochemistry

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