First-principles calculations of equilibrium isotope fractionation of Cl, Ca, and O in apatites and amphiboles

Name: First-principles calculations of equilibrium isotope fractionation of Cl, Ca, and O in apatites and amphiboles
Creator: Shanqi Liu
Published: 2025-01-15T15:15:33.707Z
Keywords: Geochemistry, Mineralogy

Liu, Shanqi; Li, Yongbing; Yang, Zhiming; Tian, Huiquan; Liu, Jianming

doi:10.17632/xt53mngnr7.1

First-principles calculations of equilibrium isotope fractionation of Cl, Ca, and O in apatites and amphiboles

Published: 15 January 2025| Version 1 | DOI: 10.17632/xt53mngnr7.1

Contributors:

Shanqi Liu, Yongbing Li, Zhiming Yang, Huiquan Tian, Jianming Liu

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Data package associated with the manuscript “First-principles calculations of equilibrium isotope fractionation of Cl, Ca, and O in apatites and amphiboles”. The data include the calculated crystal data and phonon frequencies for all the minerals investigated in the present study.

First-principles calculations of equilibrium isotope fractionation of Cl, Ca, and O in apatites and amphiboles

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