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説明:

Bond angle distributions (BADs) in silica crystals, silica glass, and siliceous zeolites were compared to understand the topology of silica polymorphs. It is found that the Si–O–Si bond angle is 180° in β-cristobalite, which is characteristic of highly symmetrical sixfold rings. In contrast, the Si–O–Si BAD of silica glass, obtained from a molecular dynamics–reverse Monte Carlo model, has an average value of 152.99° with a full width at half maximum (FWHM) of 20.48°. The Si–Si–Si BAD of β-cristobalite exhibits a peak at 109.81° demonstrates that SiSi4 hyper tetrahedra possess high symmetry. This feature is consistent with the presence of symmetric six-membered rings in β-cristobalite. On the other hand, both coesite and silicalite-1 (MFI) shows a variety of bond angles like silica glass, which is consistent with the variation of (Si–O)n ring size.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: silica, structure, bond angle distribution

刊行年月日: 2026-08-01

出版者: Ceramic Society of Japan

掲載誌:

• Journal of the Ceramic Society of Japan (ISSN: 13486535) vol. 134 issue. 8 26055

研究助成金:

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.2109/jcersj2.26055

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更新時刻: 2026-08-03 15:40:32 +0900

MDRでの公開時刻: 2026-08-03 18:29:01 +0900