Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts
Abstract
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 Pauling’s rule, are connected through common faces. Our results suggest that possible silicate liquids in Earth’s lower mantle may have complex structures making them more compressible than previously supposed.
- Authors:
-
[2];
[3];
[4];
[5];
[7];
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Univ. of Bayreuth (Germany)
- Univ. of Bayreuth (Germany); National University of Science and Technology ‘MISIS’, Moscow (Russian Federation)
- Univ. of Bayreuth (Germany); Open University, Milton Keynes (United Kingdom)
- Linköping University (Sweden)
- Linköping University (Sweden); California Institute of Technology (CalTech), Pasadena, CA (United States)
- National University of Science and Technology ‘MISIS’, Moscow (Russian Federation)
- Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
- European Synchrotron Radiation Facility (ESRF), Grenoble (France)
- Univ. of Chicago, IL (United States)
- Univ. of Chicago, IL (United States); Univ. zu Koln (Germany)
- Univ. of Bayreuth (Germany)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Org.:
- USDOE Office of Science (SC); German Research Foundation (DFG); German Federal Ministry of Education and Research (BMBF); National Science Foundation (NSF); Swedish Research Council (SRC); Linköping University; Ministry of Education and Science of the Russian Federation
- OSTI Identifier:
- 1483083
- Grant/Contract Number:
- FG02-94ER14466; AC02-06CH11357; DU 954-11/1; DU 393-9/2; DU 393-10/1; 5K16WC1; EAR-1634415; 2015-04391; 2014-4750; 637-2013-7296; 2009- 00971; 14.Y26.31.0005; K2-2017-080
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Bykova, E., Bykov, M., Černok, A., Tidholm, J., Simak, S. I., Hellman, O., Belov, M. P., Abrikosov, I. A., Liermann, H. -P., Hanfland, M., Prakapenka, V. B., Prescher, C., Dubrovinskaia, N., and Dubrovinsky, L. Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts. United States: N. p., 2018.
Web. doi:10.1038/s41467-018-07265-z.
Bykova, E., Bykov, M., Černok, A., Tidholm, J., Simak, S. I., Hellman, O., Belov, M. P., Abrikosov, I. A., Liermann, H. -P., Hanfland, M., Prakapenka, V. B., Prescher, C., Dubrovinskaia, N., & Dubrovinsky, L. Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts. United States. https://doi.org/10.1038/s41467-018-07265-z
Bykova, E., Bykov, M., Černok, A., Tidholm, J., Simak, S. I., Hellman, O., Belov, M. P., Abrikosov, I. A., Liermann, H. -P., Hanfland, M., Prakapenka, V. B., Prescher, C., Dubrovinskaia, N., and Dubrovinsky, L. Thu .
"Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts". United States. https://doi.org/10.1038/s41467-018-07265-z. https://www.osti.gov/servlets/purl/1483083.
@article{osti_1483083,
title = {Metastable silica high pressure polymorphs as structural proxies of deep Earth silicate melts},
author = {Bykova, E. and Bykov, M. and Černok, A. and Tidholm, J. and Simak, S. I. and Hellman, O. and Belov, M. P. and Abrikosov, I. A. and Liermann, H. -P. and Hanfland, M. and Prakapenka, V. B. and Prescher, C. and Dubrovinskaia, N. and Dubrovinsky, L.},
abstractNote = {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 Pauling’s rule, are connected through common faces. Our results suggest that possible silicate liquids in Earth’s lower mantle may have complex structures making them more compressible than previously supposed.},
doi = {10.1038/s41467-018-07265-z},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {Thu Nov 15 00:00:00 EST 2018},
month = {Thu Nov 15 00:00:00 EST 2018}
}
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