European Journal of Mineralogy
European Journal of Mineralogy
European Journal of Mineralogy
Articles | Volume 32, issue 4
Articles | Volume 32, issue 4
https://doi.org/10.5194/ejm-32-387-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/ejm-32-387-2020
© Author(s) 2020. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 32, issue 4
Research article
 | 
03 Jul 2020
Research article |  | 03 Jul 2020

Partitioning of chromium between garnet and clinopyroxene: first-principle modelling versus metamorphic assemblages

Sarah Figowy, Benoît Dubacq, Yves Noël, and Philippe d'Arco

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Latest update: 08 May 2025
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Short summary
Partition coefficients are key to petrological modelling yet hard to estimate independently of measurements. Here we model the partitioning of Cr between garnet and clinopyroxene ab initio. Incorporation of Cr into crystal structures causes strain, and its energetic toll defines whether Cr favours one mineral or another. Comparing to Cr content in metamorphic rocks shows how mineral composition and structure set equilibrium partition coefficients and how kinetics hampers equilibrium.
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