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Single-crystal X-ray diffraction on the structure of (Al,Fe)-bearing bridgmanite in the lower mantle

  • Suyu Fu EMAIL logo , Stella Chariton , Yanyao Zhang , Takuo Okuchi , Vitali B. Prakapenka and Jung-Fu Lin EMAIL logo
Published/Copyright: May 4, 2024
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American Mineralogist
From the journal American Mineralogist Volume 109 Issue 5

Abstract

Here we have performed single-crystal X-ray diffraction (SCXRD) experiments on two high-quality crystal platelets of (Al,Fe)-bearing bridgmanite (Mg0.88 Fe0.0653+Fe0.0352+ Al0.03)(Al0.11Si0.90)O3 (Fe10-Al14-Bgm) up to 64.6(6) GPa at room temperature in a Boehler-Almax type diamond-anvil cell. Refinements on the collected SCXRD patterns reveal reliable structural information of single-crystal Fe10-Al14-Bgm, including unit-cell parameters, atomic coordinates, and anisotropic displacement parameters. Together with Mössbauer and electron microprobe analyses, our best single-crystal refinement model indicates that the sample contains ~6.5 mol% Fe3+, 3.5 mol% Fe2+, and 3 mol% Al3+ in the large pseudo-dodecahedral site (A site), and ~11 mol% Al3+ in the small octahedral site (B site). This may indicate that Al3+ in bridgmanite preferentially occupies the B site. Our results show that the compression of Fe10-Al14-Bgm with pressure causes monotonical decreases in the volumes of AO12 pseudo-dodecahedron and BO6 octahedron (VA and VB, respectively) as well as the associated A-O and B-O bond lengths. The interatomic angles of B-O1-B and B-O2-B decrease from 145.2–145.8° at 4.2(1) GPa to 143.3–143.5° at 64.6(6) GPa. Quantitative calculations of octahedral tilting angles (Φ) show that Φ increases smoothly with pressure. We found a linear relationship between the polyhedral volume ratio and the Φ in the bridgmanite with different compositions: VA/VB = –0.049Φ + 5.549. Our results indicate an increased distortion of the Fe10-Al14-Bgm structure with pressure, which might be related to the distortion of A-site Fe2+. The local environmental changes of A-site Fe2+ in bridgmanite could explain previous results on the hyperfine parameters, abnormal lattice thermal conductivity, mean force constant of iron bonds and other physical properties, which in turn provide insights into our understanding on the geophysics and geochemistry of the planet.

Keywords: (Al,Fe)-bearing bridgmanite; crystal structure; single-crystal X-ray diffraction; lower mantle; site distortion

Acknowledgments and Funding

The authors acknowledge three anonymous reviewers for constructive comments to improve the quality of the paper. The authors appreciate N. Purevjav for her assistance on the crystal synthesis. J.F. Lin acknowledges support from National Science Foundation Geophysics Program (EAR-1916941 and EAR-2001381) and the Joint Use/Research Program of the Institute for Planetary Materials, Okayama University. T. Okuchi acknowledges support from JSPS KAKENHI (17H01172 and 21H04519). Single-crystal X-ray diffraction experiments were conducted at 13ID-D, GeoSoilEviroCARS (The University of Chicago, Sector 13), Advanced Photon Source, Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation—Earth Sciences (EAR-1634415) and U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. Data availability: All the high-pressure CIF files of the single-crystal bridgmanite in this study are provided in Online Materials[1]. Competing interests: The authors declare no competing interests.

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Received: 2023-02-10
Accepted: 2023-06-23
Published Online: 2024-05-04
Published in Print: 2024-05-27

© 2024 by Mineralogical Society of America

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https://doi.org/10.2138/am-2023-8969
Keywords for this article
(Al,Fe)-bearing bridgmanite; crystal structure; single-crystal X-ray diffraction; lower mantle; site distortion

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  17. Acceptance of the Distinguished Public Service Award of the Mineralogical Society of America for 2024
  18. Presentation of the Mineralogical Society of America Award for 2023 to Shaunna M. Morrison
  19. Acceptance of the Mineralogical Society of America Award for 2023
  20. Presentation of the 2023 Roebling Medal of the Mineralogical Society of America to Georges Calas
  21. Acceptance of the 2023 Roebling Medal of the Mineralogical Society of America
  22. Book Review
  23. Book Review: Cosmochemistry
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