Occupancies of Y in garnet-type Ca0.8Y3.4Zr0.8Ga3.0O12 crystal

Rayko Simura; Kyosuke Sawamura; Hisanori Yamane; Terutoshi Sakakura

doi:10.2109/jcersj2.22003

Occupancies of Y in garnet-type Ca0.8Y3.4Zr0.8Ga3.0O12 crystal

Rayko Simura, Kyosuke Sawamura, Hisanori Yamane, Terutoshi Sakakura

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

Abstract

Single crystals of a garnet-type oxide Ca0.8Y3.4Zr0.8Ga3.0O12 [cubic, a = 12.6404(2)? Ia-3d] were synthesized by heating a compact mixture of CaCO3, Y2O3, ZrO4, and Ga2O3 powders at 1600°C for 1 h in air. Crystal structure analysis by the conventional X-ray diffraction (XRD) method could not distinguish atoms of adjacent Y and Zr elements. The Y occupation at the 24c and 16a sites of Wyckoff positions in the crystal structure was revealed by ?synthesis with anomalous X-ray scattering. The formula was determined to be (Y0.6296(3)Ca0.2440(2)Zr0.1261(2))3(Y0.7556(5)Ca0.0340(2)Zr0.2109(2))2(GaO4)3. ?022 The Ceramic Society of Japan.

Original language	English
Pages (from-to)	359-362
Number of pages	4
Journal	Journal of the Ceramic Society of Japan
Volume	130
Issue number	5
DOIs	https://doi.org/10.2109/jcersj2.22003
Publication status	Published - 2022 May 1

Keywords

Anomalous X-ray scattering
AXS .-synthesis
Ca-Y-Zr-Ga-O system
Garnet-type oxide

ASJC Scopus subject areas

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

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10.2109/jcersj2.22003

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@article{85087cbab0c44d088143fdf25daa067d,

title = "Occupancies of Y in garnet-type Ca0.8Y3.4Zr0.8Ga3.0O12 crystal",

abstract = "Single crystals of a garnet-type oxide Ca0.8Y3.4Zr0.8Ga3.0O12 [cubic, a = 12.6404(2)? Ia-3d] were synthesized by heating a compact mixture of CaCO3, Y2O3, ZrO4, and Ga2O3 powders at 1600°C for 1 h in air. Crystal structure analysis by the conventional X-ray diffraction (XRD) method could not distinguish atoms of adjacent Y and Zr elements. The Y occupation at the 24c and 16a sites of Wyckoff positions in the crystal structure was revealed by ?synthesis with anomalous X-ray scattering. The formula was determined to be (Y0.6296(3)Ca0.2440(2)Zr0.1261(2))3(Y0.7556(5)Ca0.0340(2)Zr0.2109(2))2(GaO4)3. ?022 The Ceramic Society of Japan.",

keywords = "Anomalous X-ray scattering, AXS .-synthesis, Ca-Y-Zr-Ga-O system, Garnet-type oxide",

author = "Rayko Simura and Kyosuke Sawamura and Hisanori Yamane and Terutoshi Sakakura",

note = "Funding Information: Acknowledgement The authors thank Mr. T. Kamaya of the CAF, Tohoku University for EPMA operation. This research was supported by a Kakenhi Grant-in-Aid (No. JP18H05347) from the Japan Society for the Promotion of Science (JSPS) and partially by Tohoku University Center for Gender Equality Promotion (TUMUG) Support Project. Publisher Copyright: {\textcopyright} 2022 Ceramic Society of Japan. All rights reserved.",

year = "2022",

month = may,

day = "1",

doi = "10.2109/jcersj2.22003",

language = "English",

volume = "130",

pages = "359--362",

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 = "5",

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TY - JOUR

T1 - Occupancies of Y in garnet-type Ca0.8Y3.4Zr0.8Ga3.0O12 crystal

AU - Simura, Rayko

AU - Sawamura, Kyosuke

AU - Yamane, Hisanori

AU - Sakakura, Terutoshi

N1 - Funding Information: Acknowledgement The authors thank Mr. T. Kamaya of the CAF, Tohoku University for EPMA operation. This research was supported by a Kakenhi Grant-in-Aid (No. JP18H05347) from the Japan Society for the Promotion of Science (JSPS) and partially by Tohoku University Center for Gender Equality Promotion (TUMUG) Support Project. Publisher Copyright: © 2022 Ceramic Society of Japan. All rights reserved.

PY - 2022/5/1

Y1 - 2022/5/1

N2 - Single crystals of a garnet-type oxide Ca0.8Y3.4Zr0.8Ga3.0O12 [cubic, a = 12.6404(2)? Ia-3d] were synthesized by heating a compact mixture of CaCO3, Y2O3, ZrO4, and Ga2O3 powders at 1600°C for 1 h in air. Crystal structure analysis by the conventional X-ray diffraction (XRD) method could not distinguish atoms of adjacent Y and Zr elements. The Y occupation at the 24c and 16a sites of Wyckoff positions in the crystal structure was revealed by ?synthesis with anomalous X-ray scattering. The formula was determined to be (Y0.6296(3)Ca0.2440(2)Zr0.1261(2))3(Y0.7556(5)Ca0.0340(2)Zr0.2109(2))2(GaO4)3. ?022 The Ceramic Society of Japan.

AB - Single crystals of a garnet-type oxide Ca0.8Y3.4Zr0.8Ga3.0O12 [cubic, a = 12.6404(2)? Ia-3d] were synthesized by heating a compact mixture of CaCO3, Y2O3, ZrO4, and Ga2O3 powders at 1600°C for 1 h in air. Crystal structure analysis by the conventional X-ray diffraction (XRD) method could not distinguish atoms of adjacent Y and Zr elements. The Y occupation at the 24c and 16a sites of Wyckoff positions in the crystal structure was revealed by ?synthesis with anomalous X-ray scattering. The formula was determined to be (Y0.6296(3)Ca0.2440(2)Zr0.1261(2))3(Y0.7556(5)Ca0.0340(2)Zr0.2109(2))2(GaO4)3. ?022 The Ceramic Society of Japan.

KW - Anomalous X-ray scattering

KW - AXS .-synthesis

KW - Ca-Y-Zr-Ga-O system

KW - Garnet-type oxide

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JO - Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan

JF - Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi/Journal of the Ceramic Society of Japan

IS - 5

ER -

Occupancies of Y in garnet-type Ca0.8Y3.4Zr0.8Ga3.0O12 crystal

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Keywords

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