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On the icosahedral metal-phosphorus coordination in melliniite: a gift from the sky for materials chemistry
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
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2012 (English)In: Journal of Materials Chemistry, ISSN 0959-9428, E-ISSN 1364-5501, Vol. 22, no 29, 14741-14745 p.Article in journal (Refereed) Published
Abstract [en]

Recently a new mineral, melliniite, was reported from a meteorite sample. This mineral has an ideal chemical composition of (Ni,Fe)(4)P and a crystal structure where the phosphorus atoms are coordinated by twelve nearest neighboring metal atoms. No other phosphide has been reported to have such high metal coordination. Therefore melliniite provides new and important information about the chemical interaction in transition metal chalcogenides and possibly pnictides. We demonstrate here, using first principles theory, that the stability and icosahedral metal-phosphorous coordination of melliniite are due to a balance between covalent Fe-P binding, configurational entropy and a weaker nickel-phosphorus binding, that has only a weak directional dependence.

Place, publisher, year, edition, pages
2012. Vol. 22, no 29, 14741-14745 p.
National Category
Materials Chemistry Inorganic Chemistry
Research subject
Chemistry with specialization in Inorganic Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-177879DOI: 10.1039/c2jm32311gISI: 000305966200059OAI: oai:DiVA.org:uu-177879DiVA: diva2:541567
Available from: 2012-07-19 Created: 2012-07-19 Last updated: 2017-12-07Bibliographically approved

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Kadas, KrisztinaTeles da Costa, MarcioVitos, LeventeAndersson, YvonneBergman, AndersEriksson, Olle

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