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

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. (2019) High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite. Comptes Rendus Geoscience, 351 (2-3). pp. 129-140. ISSN 1631-0713. doi:10.1016/j.crte.2018.06.012.

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The phase and spin transitions in single-crystal monoclinic ferrosilite, FeSiO_3, 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 P2_1/c-to-C2/c phase transition between 1.5 and 1.7 GPa and a phase transition from C2/c to a distinct P2_1/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. 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.

Item Type:Article
Related URLs:
URLURL TypeDescription
Solomatova, Natalia V.0000-0002-2331-3427
Finkelstein, Gregory J.0000-0001-7343-7527
Sturhahn, Wolfgang0000-0002-9606-4740
Beavers, Christine M.0000-0001-8653-5513
Zhao, Jiyong0000-0002-0777-3626
Jackson, Jennifer M.0000-0002-8256-6336
Additional Information:© 2018 The Author(s). Published by Elsevier Masson SAS on behalf of Académie des sciences. This is an open access article under the CC BY-NC-ND license ( Received 11 April 2018, Accepted 25 June 2018, Available online 4 August 2018. We are thankful to NSF–CSEDI–EAR–1161046, the W.M. Keck Institute for Space Studies, and COMPRES, which partially supports operations at Sector 3 (APS) and Beamline 12.2.2 (ALS). Microprobe analyses at Caltech were partially funded by MRSEX Program of the NSF under DMR-0080065. We would like to thank L. Henling and M.K. Takase for their help with data post-processing at the X-Ray Crystallography Facility in the Beckman Institute of Caltech. Ruby fluorescence measurements for the SMS experiments were conducted at GSECARS. Use of the Advanced Photon Source is supported by the U.S. DOE, Office of Science (DE-AC02-06CH11357). The Advanced Light Source is supported by the U.S. DOE, Office of Science (DE-AC02-05CH11231).
Group:Keck Institute for Space Studies
Funding AgencyGrant Number
Keck Institute for Space Studies (KISS)UNSPECIFIED
Department of Energy (DOE)DE-AC02-06CH11357
Department of Energy (DOE)DE-AC02-05CH11231
Subject Keywords:Ferrosilite; Pyroxene; Spin transition; Phase transition; High pressure; Mössbauer spectroscopy
Issue or Number:2-3
Record Number:CaltechAUTHORS:20180806-125217838
Persistent URL:
Official Citation:Natalia V. Solomatova, Ayya Alieva, Gregory J. Finkelstein, Wolfgang Sturhahn, Michael B. Baker, Christine M. Beavers, Jiyong Zhao, Thomas S. Toellner, Jennifer M. Jackson, High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite, Comptes Rendus Geoscience, Volume 351, Issues 2–3, 2019, Pages 129-140, ISSN 1631-0713, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:88602
Deposited By: George Porter
Deposited On:06 Aug 2018 22:29
Last Modified:16 Nov 2021 00:28

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