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Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts
DESY, Germany; Univ Bayreuth, Germany.
Univ Bayreuth, Germany; Natl Univ Sci and Technol MISIS, Russia.
Univ Bayreuth, Germany; Open Univ, England.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics. Linköping University, Faculty of Science & Engineering.
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2018 (English)In: Nature Communications, ISSN 2041-1723, E-ISSN 2041-1723, Vol. 9, article id 4789Article in journal (Refereed) Published
Abstract [en]

Modelling of processes involving deep Earth liquids requires information on their structures and compression mechanisms. However, knowledge of the local structures of silicates and silica (SiO2) melts at deep mantle conditions and of their densification mechanisms is still limited. Here we report the synthesis and characterization of metastable high-pressure silica phases, coesite-IV and coesite-V, using in situ single-crystal X-ray diffraction and ab initio simulations. Their crystal structures are drastically different from any previously considered models, but explain well features of pair-distribution functions of highly densified silica glass and molten basalt at high pressure. Built of four, five-, and six-coordinated silicon, coesite-IV and coesite-V contain SiO6 octahedra, which, at odds with 3rd Paulings rule, are connected through common faces. Our results suggest that possible silicate liquids in Earths lower mantle may have complex structures making them more compressible than previously supposed.

Place, publisher, year, edition, pages
NATURE PUBLISHING GROUP , 2018. Vol. 9, article id 4789
National Category
Materials Chemistry
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URN: urn:nbn:se:liu:diva-153165DOI: 10.1038/s41467-018-07265-zISI: 000450160100002PubMedID: 30442940OAI: oai:DiVA.org:liu-153165DiVA, id: diva2:1267324
Note

Funding Agencies|German Research Foundation [Deutsche Forschungsgemeinschaft (DFG)]; Federal Ministry of Education and Research [ Bundesministerium fur Bildung und Forschung (BMBF), Germany] [DU 954-11/1, DU 393-9/2, DU 393-10/1, 5K16WC1]; National Science Foundation-Earth Sciences [EAR-1634415]; Department of Energy-GeoSciences [DE-FG02-94ER14466]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; Elite Network of Bavaria through the program Oxides; Swedish Research Council [2015-04391, 2014-4750, 637-2013-7296]; Swedish Government Strategic Research Areas in Materials Science on Functional Materials at Linkoping University (Faculty Grant SFO-Mat-LiU) [200900971]; Swedish e-Science Research Centre (SeRC); Ministry of Education and Science of the Russian Federation [14.Y26.31.0005]; Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST "MISIS" [K2-2017-080]

Available from: 2018-12-01 Created: 2018-12-01 Last updated: 2019-03-22

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