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Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts

Bykova, E. (author)
DESY, Germany; Univ Bayreuth, Germany
Bykov, M. (author)
Univ Bayreuth, Germany; Natl Univ Sci and Technol MISIS, Russia
Cernok, A. (author)
Univ Bayreuth, Germany; Open Univ, England
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Tidholm, Johan (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
Simak, Sergey (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
Hellman, Olle (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,CALTECH, CA 91125 USA
Belov, M. P. (author)
Natl Univ Sci and Technol MISIS, Russia
Abrikosov, Igor (author)
Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
Liermann, H. -P. (author)
DESY, Germany
Hanfland, M. (author)
European Synchrotron Radiat Facil, France
Prakapenka, V. B. (author)
Univ Chicago, IL 60637 USA
Prescher, C. (author)
Univ Chicago, IL 60637 USA; Univ Cologne, Germany
Dubrovinskaia, N. (author)
Univ Bayreuth, Germany
Dubrovinsky, L. (author)
Univ Bayreuth, Germany
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 (creator_code:org_t)
2018-11-15
2018
English.
In: Nature Communications. - : NATURE PUBLISHING GROUP. - 2041-1723. ; 9
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • 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.

Subject headings

NATURVETENSKAP  -- Kemi -- Materialkemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences -- Materials Chemistry (hsv//eng)

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