Crystal structure of β-Fe2O3 and topotactic phase transformation to α-Fe2O3

Teruaki Danno; Daisuke Nakatsuka; Yoshihiro Kusano; Hiroshi Asaoka; Makoto Nakanishi; Tatsuo Fujii; Yasunori Ikeda; Jun Takada

doi:10.1021/cg301493a

Crystal structure of β-Fe₂O₃ and topotactic phase transformation to α-Fe₂O₃

Teruaki Danno, Daisuke Nakatsuka, Yoshihiro Kusano, Hiroshi Asaoka, Makoto Nakanishi, Tatsuo Fujii, Yasunori Ikeda, Jun Takada

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

36 Citations (Scopus)

Abstract

β-Fe₂O₃ is the scarce polymorph of Fe ₂O₃ phases and is transformed easily into α-Fe ₂O₃ at high temperature. However, its crystal structure and the transformation mechanism to α-Fe₂O₃ are still unclear because of the difficulty in obtaining monophasic β-Fe ₂O₃ crystals. We established a synthesis method of the monophasic β-Fe₂O₃. It was synthesized by a two-step reaction: heating a mixture of Na₂SO₄ and Fe ₂(SO₄)₃ in air at 250 C to form NaFe(SO ₄)₂, and subsequent heating the resultant phase with NaCl in air at 500 C. The crystal structure was refined to a bixbyite-type cubic structure (Ia3Ì...) with a = 9.4039(1) Å by the Rietveld method. Single crystalline β-Fe₂O₃ particles of approximately 1 μm in size were topotactically transformed into single α-Fe ₂O₃ crystals. Electron diffraction analysis revealed the crystallographic orientation relationships between β-Fe₂O ₃ and α-Fe₂O₃ to be [100] _β//[0001]_α, [010]_β// [101Ì...0]_α, and [001]_β//[1Ì... 21Ì...0]_α.

Original language	English
Pages (from-to)	770-774
Number of pages	5
Journal	Crystal Growth and Design
Volume	13
Issue number	2
DOIs	https://doi.org/10.1021/cg301493a
Publication status	Published - Feb 6 2013

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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@article{7207e89727b046aba7da4d72d54e50ca,

title = "Crystal structure of β-Fe2O3 and topotactic phase transformation to α-Fe2O3",

abstract = "β-Fe2O3 is the scarce polymorph of Fe 2O3 phases and is transformed easily into α-Fe 2O3 at high temperature. However, its crystal structure and the transformation mechanism to α-Fe2O3 are still unclear because of the difficulty in obtaining monophasic β-Fe 2O3 crystals. We established a synthesis method of the monophasic β-Fe2O3. It was synthesized by a two-step reaction: heating a mixture of Na2SO4 and Fe 2(SO4)3 in air at 250 C to form NaFe(SO 4)2, and subsequent heating the resultant phase with NaCl in air at 500 C. The crystal structure was refined to a bixbyite-type cubic structure (Ia3{\`I}...) with a = 9.4039(1) {\AA} by the Rietveld method. Single crystalline β-Fe2O3 particles of approximately 1 μm in size were topotactically transformed into single α-Fe 2O3 crystals. Electron diffraction analysis revealed the crystallographic orientation relationships between β-Fe2O 3 and α-Fe2O3 to be [100] β//[0001]α, [010]β// [101{\`I}...0]α, and [001]β//[1{\`I}... 21{\`I}...0]α.",

author = "Teruaki Danno and Daisuke Nakatsuka and Yoshihiro Kusano and Hiroshi Asaoka and Makoto Nakanishi and Tatsuo Fujii and Yasunori Ikeda and Jun Takada",

year = "2013",

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doi = "10.1021/cg301493a",

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T1 - Crystal structure of β-Fe2O3 and topotactic phase transformation to α-Fe2O3

AU - Danno, Teruaki

AU - Nakatsuka, Daisuke

AU - Kusano, Yoshihiro

AU - Asaoka, Hiroshi

AU - Nakanishi, Makoto

AU - Fujii, Tatsuo

AU - Ikeda, Yasunori

AU - Takada, Jun

PY - 2013/2/6

Y1 - 2013/2/6

N2 - β-Fe2O3 is the scarce polymorph of Fe 2O3 phases and is transformed easily into α-Fe 2O3 at high temperature. However, its crystal structure and the transformation mechanism to α-Fe2O3 are still unclear because of the difficulty in obtaining monophasic β-Fe 2O3 crystals. We established a synthesis method of the monophasic β-Fe2O3. It was synthesized by a two-step reaction: heating a mixture of Na2SO4 and Fe 2(SO4)3 in air at 250 C to form NaFe(SO 4)2, and subsequent heating the resultant phase with NaCl in air at 500 C. The crystal structure was refined to a bixbyite-type cubic structure (Ia3Ì...) with a = 9.4039(1) Å by the Rietveld method. Single crystalline β-Fe2O3 particles of approximately 1 μm in size were topotactically transformed into single α-Fe 2O3 crystals. Electron diffraction analysis revealed the crystallographic orientation relationships between β-Fe2O 3 and α-Fe2O3 to be [100] β//[0001]α, [010]β// [101Ì...0]α, and [001]β//[1Ì... 21Ì...0]α.

AB - β-Fe2O3 is the scarce polymorph of Fe 2O3 phases and is transformed easily into α-Fe 2O3 at high temperature. However, its crystal structure and the transformation mechanism to α-Fe2O3 are still unclear because of the difficulty in obtaining monophasic β-Fe 2O3 crystals. We established a synthesis method of the monophasic β-Fe2O3. It was synthesized by a two-step reaction: heating a mixture of Na2SO4 and Fe 2(SO4)3 in air at 250 C to form NaFe(SO 4)2, and subsequent heating the resultant phase with NaCl in air at 500 C. The crystal structure was refined to a bixbyite-type cubic structure (Ia3Ì...) with a = 9.4039(1) Å by the Rietveld method. Single crystalline β-Fe2O3 particles of approximately 1 μm in size were topotactically transformed into single α-Fe 2O3 crystals. Electron diffraction analysis revealed the crystallographic orientation relationships between β-Fe2O 3 and α-Fe2O3 to be [100] β//[0001]α, [010]β// [101Ì...0]α, and [001]β//[1Ì... 21Ì...0]α.

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