# Bond angle distributions in silica polymorphs

https://mdr.nims.go.jp/datasets/cc025e15-a0a6-4ab6-854a-b8a66ea74621

## File

- [134_26055.pdf](https://mdr.nims.go.jp/filesets/6157e624-3f87-4d7a-b073-6291a6091215/download) ([Detail](https://mdr.nims.go.jp/filesets/6157e624-3f87-4d7a-b073-6291a6091215.md))

## Id

cc025e15-a0a6-4ab6-854a-b8a66ea74621

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-08-03T06:39:16.523141Z

## Updated at

2026-08-03T06:40:32.603909Z

## Published at

2026-08-03T09:29:01.645524Z

## Doi



## First published url

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

## Date published

2026-08-01

## Recorded date published

2026

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Bond angle distributions in silica polymorphs
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: und

## Creator

- name: Shinji Kohara
  role: author
- name: Yohei Onodera
  role: author
- name: Motoki Shiga
  role: author
- name: Hirokazu Masai
  role: author
- name: Atsunobu Masuno
  role: author
- name: Koji Kimura
  role: author
- name: Koichi Hayashi
  role: author

## Contact agent



## Publisher

organization: Ceramic Society of Japan

## Managing organization



## Keyword

- subject: silica
  schema: not_defined
- subject: structure
  schema: not_defined
- subject: bond angle distribution
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

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## Data origin



## Embargo



## Journal

- title: Journal of the Ceramic Society of Japan
  issn: '13486535'
  volume: '134'
  issue: '8'
  article_number: '26055'

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## Specimen



## Chemical composition



## Structure for specimen



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## Fileset

- id: 6157e624-3f87-4d7a-b073-6291a6091215
  filename: 134_26055.pdf
  content_type: application/pdf
  size: 309069
  md5: e5d886a719564306964fd48e9c371abd

## Thumbnail

fileset_id: 6157e624-3f87-4d7a-b073-6291a6091215
filename: 134_26055.pdf