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

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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 languageEnglish
Pages (from-to)902-903
Number of pages2
JournalChemistry Letters
Issue number7
Publication statusPublished - Jul 5 2007
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

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    Nomura, T., Hayashi, K., Kubota, Y., Kamiya, T., Hirano, M., Takata, M., & Hosono, H. (2007). Anion incorporation-induced cage deformation in 12CaO·7Al 2O 3 crystal. Chemistry Letters, 36(7), 902-903.