Anion incorporation-induced cage deformation in 12CaO•7Al2O3 crystal

被引：23

作者：

Nomura, Takatoshi ^{[1
]}

Hayashi, Katsuro

Kubota, Yoshiki

Kamiya, Toshio

Hirano, Masahiro

Takata, Masaki

Hosono, Hideo

机构：

[1] Tokyo Inst Technol, Frontier Collaborat Res Ctr, Yokohama, Kanagawa 2268503, Japan

[2] Osaka Prefecture Univ, Dept Phys Sci, Osaka 5900035, Japan

[3] RIKEN, SPring 8 Ctr, Hyogo 6795198, Japan

[4] Japan Sci & Technol Agcy, CREST, Hyogo 6795198, Japan

来源：

CHEMISTRY LETTERS | 2007年 / 36卷 / 07期

关键词：

D O I：

10.1246/cl.2007.902

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Effects of O2- or OH- ion incorporation on the cage geometry in 12CaO center dot 7Al(2)O(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 Ca2+ ions axially coordinating to the anion. The OH- ion locates at the cage center and induces smaller symmetric displacements of the two Ca2+ ions, while the O2- ion likely locates on off-axis positions and induces larger asymmetric Ca2+ ion displacements.

引用

页码：902 / 903

页数：2

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