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Computer simulations of iron in magnesium silicate perovskite

Wright, K; Price, GD; (1989) Computer simulations of iron in magnesium silicate perovskite. Geophysical Research Letters , 16 (12) 1399 - 1402. 10.1029/GL016i012p01399. Green open access

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We use atomistic computer simulation techniques to investigate the site partitioning of iron in (Mg,Fe)SiO_{3} perovskites. Our calculations predict that the most energetically favourable reaction for iron substitution will be a direct exchange of Fe^{2+} for Mg^{2+}. Substitution of Fe into the octahedral site and Si into the 8–12 fold coordinated site, as proposed by Jackson et al. [1987], is predicted to be extremely unlikely.

Type: Article
Title: Computer simulations of iron in magnesium silicate perovskite
Open access status: An open access version is available from UCL Discovery
DOI: 10.1029/GL016i012p01399
Publisher version: http://dx.doi.org/10.1029/GL016i012p01399
Language: English
Additional information: Copyright 1989 by the American Geophysical Union
UCL classification: UCL
URI: https://discovery.ucl.ac.uk/id/eprint/99141
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