Anion incorporation-induced cage deformation in 12CaO·7Al 2O 3 crystal

Takatoshi Nomura; Katsuro Hayashi; Yoshiki Kubota; Toshio Kamiya; Masahiro Hirano; Masaki Takata; Hideo Hosono

doi:10.1246/cl.2007.902

Anion incorporation-induced cage deformation in 12CaO·7Al ₂O ₃ crystal

Takatoshi Nomura, Katsuro Hayashi, Yoshiki Kubota, Toshio Kamiya, Masahiro Hirano, Masaki Takata, Hideo Hosono

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

24 Citations (Scopus)

Abstract

Effects of O ^2- or OH ^- ion incorporation on the cage geometry in 12CaO·7Al ₂O ₃ (C12A7) crystals are examined by the maximum entropy method (MEM)/Rietveld analyses of synchrotron powder X-ray diffraction data. Presence of an extraframework anion in a cage causes inward displacements of two Ca ²⁺ ions axially coordinating to the anion. The OHion locates at the cage center and induces smaller symmetric displacements of the two Ca ²⁺ ions, while the O ^2- ion likely locates on off-axis positions and induces larger asymmetric Ca ²⁺ ion displacements.

Original language	English
Pages (from-to)	902-903
Number of pages	2
Journal	Chemistry Letters
Volume	36
Issue number	7
DOIs	https://doi.org/10.1246/cl.2007.902
Publication status	Published - Jul 5 2007
Externally published	Yes

All Science Journal Classification (ASJC) codes

Chemistry(all)

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10.1246/cl.2007.902

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title = "Anion incorporation-induced cage deformation in 12CaO·7Al 2O 3 crystal",

abstract = "Effects of O 2- or OH - ion incorporation on the cage geometry in 12CaO·7Al 2O 3 (C12A7) crystals are examined by the maximum entropy method (MEM)/Rietveld analyses of synchrotron powder X-ray diffraction data. Presence of an extraframework anion in a cage causes inward displacements of two Ca 2+ ions axially coordinating to the anion. The OHion locates at the cage center and induces smaller symmetric displacements of the two Ca 2+ ions, while the O 2- ion likely locates on off-axis positions and induces larger asymmetric Ca 2+ ion displacements.",

author = "Takatoshi Nomura and Katsuro Hayashi and Yoshiki Kubota and Toshio Kamiya and Masahiro Hirano and Masaki Takata and Hideo Hosono",

year = "2007",

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doi = "10.1246/cl.2007.902",

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T1 - Anion incorporation-induced cage deformation in 12CaO·7Al 2O 3 crystal

AU - Nomura, Takatoshi

AU - Hayashi, Katsuro

AU - Kubota, Yoshiki

AU - Kamiya, Toshio

AU - Hirano, Masahiro

AU - Takata, Masaki

AU - Hosono, Hideo

PY - 2007/7/5

Y1 - 2007/7/5

N2 - Effects of O 2- or OH - ion incorporation on the cage geometry in 12CaO·7Al 2O 3 (C12A7) crystals are examined by the maximum entropy method (MEM)/Rietveld analyses of synchrotron powder X-ray diffraction data. Presence of an extraframework anion in a cage causes inward displacements of two Ca 2+ ions axially coordinating to the anion. The OHion locates at the cage center and induces smaller symmetric displacements of the two Ca 2+ ions, while the O 2- ion likely locates on off-axis positions and induces larger asymmetric Ca 2+ ion displacements.

AB - Effects of O 2- or OH - ion incorporation on the cage geometry in 12CaO·7Al 2O 3 (C12A7) crystals are examined by the maximum entropy method (MEM)/Rietveld analyses of synchrotron powder X-ray diffraction data. Presence of an extraframework anion in a cage causes inward displacements of two Ca 2+ ions axially coordinating to the anion. The OHion locates at the cage center and induces smaller symmetric displacements of the two Ca 2+ ions, while the O 2- ion likely locates on off-axis positions and induces larger asymmetric Ca 2+ ion displacements.

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JO - Chemistry Letters

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Anion incorporation-induced cage deformation in 12CaO·7Al ₂O ₃ crystal

Abstract

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