Crystal structure of Ca(Fe0.4Si0.6)O2.8oxygen-deficient perovskite

Masami Kanzaki

doi:10.2109/jcersj2.20138

Crystal structure of Ca(Fe_0.4Si_0.6)O_2.8oxygen-deficient perovskite

Masami Kanzaki

Institute for Planetary Materials

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

The crystal structure of Ca(Fe3+0.4Si0.6)O2.8 oxygen-deficient perovskite phase synthesized at 12 GPa and 1400 °C was studied using synchrotron powder X-ray diffraction. The phase is isostructural to low-pressure phase of Ca(Al0.4Si0.6)O2.8. The structure was refined by the Rietveld method and is consists of a perovskite-like triplelayer of corner-shared (Fe3+,Si)O6 octahedra and a double-layer of SiO4 tetrahedra those are stacked alternatively in the [111] direction of ideal cubic perovskite. Small degree of Fe3+/Si disorder was detected between two octahedral sites. The structure is compared with other oxygen-deficient perovskites.

Original language	English
Pages (from-to)	843-846
Number of pages	4
Journal	Journal of the Ceramic Society of Japan
Volume	128
Issue number	10
DOIs	https://doi.org/10.2109/jcersj2.20138
Publication status	Published - Oct 2020

Keywords

Crystal structure
High-pressure silicate
Oxygen-deficient perovskite
Rietveld refinement

ASJC Scopus subject areas

Ceramics and Composites
Chemistry(all)
Condensed Matter Physics
Materials Chemistry

Access to Document

10.2109/jcersj2.20138

Cite this

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title = "Crystal structure of Ca(Fe0.4Si0.6)O2.8oxygen-deficient perovskite",

abstract = "The crystal structure of Ca(Fe3+0.4Si0.6)O2.8 oxygen-deficient perovskite phase synthesized at 12 GPa and 1400 °C was studied using synchrotron powder X-ray diffraction. The phase is isostructural to low-pressure phase of Ca(Al0.4Si0.6)O2.8. The structure was refined by the Rietveld method and is consists of a perovskite-like triplelayer of corner-shared (Fe3+,Si)O6 octahedra and a double-layer of SiO4 tetrahedra those are stacked alternatively in the [111] direction of ideal cubic perovskite. Small degree of Fe3+/Si disorder was detected between two octahedral sites. The structure is compared with other oxygen-deficient perovskites. ",

keywords = "Crystal structure, High-pressure silicate, Oxygen-deficient perovskite, Rietveld refinement",

author = "Masami Kanzaki",

note = "Funding Information: Acknowledgements Synchrotron Powder X-ray diffraction pattern was measured at BL19B2 of SPring-8 (Proposal No. 2012B1930). The study was supported by Operational Expenses Grant from Okayama University. Publisher Copyright: {\textcopyright} 2020 The Ceramic Society of Japan. All rights reserved.",

year = "2020",

month = oct,

doi = "10.2109/jcersj2.20138",

language = "English",

volume = "128",

pages = "843--846",

journal = "Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan",

issn = "1882-0743",

publisher = "Ceramic Society of Japan/Nippon Seramikkusu Kyokai",

number = "10",

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T1 - Crystal structure of Ca(Fe0.4Si0.6)O2.8oxygen-deficient perovskite

AU - Kanzaki, Masami

N1 - Funding Information: Acknowledgements Synchrotron Powder X-ray diffraction pattern was measured at BL19B2 of SPring-8 (Proposal No. 2012B1930). The study was supported by Operational Expenses Grant from Okayama University. Publisher Copyright: © 2020 The Ceramic Society of Japan. All rights reserved.

PY - 2020/10

Y1 - 2020/10

N2 - The crystal structure of Ca(Fe3+0.4Si0.6)O2.8 oxygen-deficient perovskite phase synthesized at 12 GPa and 1400 °C was studied using synchrotron powder X-ray diffraction. The phase is isostructural to low-pressure phase of Ca(Al0.4Si0.6)O2.8. The structure was refined by the Rietveld method and is consists of a perovskite-like triplelayer of corner-shared (Fe3+,Si)O6 octahedra and a double-layer of SiO4 tetrahedra those are stacked alternatively in the [111] direction of ideal cubic perovskite. Small degree of Fe3+/Si disorder was detected between two octahedral sites. The structure is compared with other oxygen-deficient perovskites.

AB - The crystal structure of Ca(Fe3+0.4Si0.6)O2.8 oxygen-deficient perovskite phase synthesized at 12 GPa and 1400 °C was studied using synchrotron powder X-ray diffraction. The phase is isostructural to low-pressure phase of Ca(Al0.4Si0.6)O2.8. The structure was refined by the Rietveld method and is consists of a perovskite-like triplelayer of corner-shared (Fe3+,Si)O6 octahedra and a double-layer of SiO4 tetrahedra those are stacked alternatively in the [111] direction of ideal cubic perovskite. Small degree of Fe3+/Si disorder was detected between two octahedral sites. The structure is compared with other oxygen-deficient perovskites.

KW - Crystal structure

KW - High-pressure silicate

KW - Oxygen-deficient perovskite

KW - Rietveld refinement

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