Articles | Volume 32, issue 4
Eur. J. Mineral., 32, 387–403, 2020
Eur. J. Mineral., 32, 387–403, 2020

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 et al.

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Cited articles

Ague, J. J. and Axler, J. A.: Interface coupled dissolution-reprecipitation in garnet from subducted granulites and ultrahigh-pressure rocks revealed by phosphorous, sodium, and titanium zonation, Am. Mineral., 101, 1696–1699,, 2016. 
Albarède, F. and Bottinga, Y.: Kinetic disequilibrium in trace element partitioning between phenocrysts and host lava, Geochim. Cosmochim. Ac., 36, 141–156,, 1972. 
Allan, N. L., Du, Z., Lavrentiev, M. Yu., Blundy, J. D., Purton, J. A., and van Westrenen, W.: Atomistic simulation of mineral–melt trace-element partitioning, Phys. Earth Planet. In., 139, 93–111,, 2003. 
Allègre, C. J., Treuil, M., Minster, J.-F., Minster, B., and Albarède, F.: Systematic use of trace element in igneous process, Contrib. Mineral. Petr., 60, 57–75,, 1977. 
Angiboust, S., Pettke, T., De Hoog, J. C. M., Caron, B., and Oncken, O.: Channelized Fluid Flow and Eclogite-facies Metasomatism along the Subduction Shear Zone, J. Petrol., 55, 883–916,, 2014. 
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.