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Title: High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite

Abstract

The phase and spin transitions in single-crystal monoclinic ferrosilite, FeSiO3, were investigated using X-ray diffraction and Mössbauer spectroscopy up to lower-mantle pressures and room temperature in a helium pressure medium. Using single-crystal X-ray diffraction, we measured the equation of state of ferrosilite up to about 43 GPa. We observed a P21/c-to-C2/c phase transition between 1.5 and 1.7 GPa and a phase transition from C2/c to a distinct P21/c structure between 30 and 34 GPa. With time-domain Mössbauer spectroscopy, we determined the hyperfine parameters of ferrous iron up to 95 GPa. The phase transitions were correlated with discontinuities in Mössbauer spectral features. We observed the onset of high-spin-to-low-spin transitions in the M1 and M2 sites at ~37 GPa and ~74 GPa, respectively. In conclusion, understanding the electronic structure of iron in a well-characterized single crystal of ferrosilite may help interpret the behavior of iron in complex dense silicate phases.

Authors:
ORCiD logo [1];  [2];  [3];  [2];  [2];  [4];  [5];  [5];  [2]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States); École Normale Supérieure de Lyon, Lyon (France)
  2. California Inst. of Technology (CalTech), Pasadena, CA (United States)
  3. California Inst. of Technology (CalTech), Pasadena, CA (United States); Univ. of Hawaii, Manoa, HI (United States)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Santa Cruz, CA (United States)
  5. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1558793
Alternate Identifier(s):
OSTI ID: 1616972
Grant/Contract Number:  
AC02-06CH11357; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Comptes Rendus Geoscience
Additional Journal Information:
Journal Volume: 351; Journal Issue: 2-3; Journal ID: ISSN 1631-0713
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; Mossbauer spectroscopy; ferrosilite; high pressure; phase transition; pyroxene; spin transition

Citation Formats

Solomatova, Natalia V., Alieva, Ayya, Finkelstein, Gregory J., Sturhahn, Wolfgang, Baker, Michael B., Beavers, Christine M., Zhao, Jiyong, Toellner, Thomas S., and Jackson, Jennifer M. High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite. United States: N. p., 2018. Web. doi:10.1016/j.crte.2018.06.012.
Solomatova, Natalia V., Alieva, Ayya, Finkelstein, Gregory J., Sturhahn, Wolfgang, Baker, Michael B., Beavers, Christine M., Zhao, Jiyong, Toellner, Thomas S., & Jackson, Jennifer M. High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite. United States. https://doi.org/10.1016/j.crte.2018.06.012
Solomatova, Natalia V., Alieva, Ayya, Finkelstein, Gregory J., Sturhahn, Wolfgang, Baker, Michael B., Beavers, Christine M., Zhao, Jiyong, Toellner, Thomas S., and Jackson, Jennifer M. Sat . "High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite". United States. https://doi.org/10.1016/j.crte.2018.06.012. https://www.osti.gov/servlets/purl/1558793.
@article{osti_1558793,
title = {High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite},
author = {Solomatova, Natalia V. and Alieva, Ayya and Finkelstein, Gregory J. and Sturhahn, Wolfgang and Baker, Michael B. and Beavers, Christine M. and Zhao, Jiyong and Toellner, Thomas S. and Jackson, Jennifer M.},
abstractNote = {The phase and spin transitions in single-crystal monoclinic ferrosilite, FeSiO3, were investigated using X-ray diffraction and Mössbauer spectroscopy up to lower-mantle pressures and room temperature in a helium pressure medium. Using single-crystal X-ray diffraction, we measured the equation of state of ferrosilite up to about 43 GPa. We observed a P21/c-to-C2/c phase transition between 1.5 and 1.7 GPa and a phase transition from C2/c to a distinct P21/c structure between 30 and 34 GPa. With time-domain Mössbauer spectroscopy, we determined the hyperfine parameters of ferrous iron up to 95 GPa. The phase transitions were correlated with discontinuities in Mössbauer spectral features. We observed the onset of high-spin-to-low-spin transitions in the M1 and M2 sites at ~37 GPa and ~74 GPa, respectively. In conclusion, understanding the electronic structure of iron in a well-characterized single crystal of ferrosilite may help interpret the behavior of iron in complex dense silicate phases.},
doi = {10.1016/j.crte.2018.06.012},
journal = {Comptes Rendus Geoscience},
number = 2-3,
volume = 351,
place = {United States},
year = {Sat Aug 04 00:00:00 EDT 2018},
month = {Sat Aug 04 00:00:00 EDT 2018}
}

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Cited by: 6 works
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Works referencing / citing this record:

Penta- and hexa-coordinated beryllium and phosphorus in high-pressure modifications of CaBe2P2O8
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