| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1332784 | Journal of Solid State Chemistry | 2006 | 8 Pages |
Abstract
We report a periodic density functional study into the tetrahedral distortion of a range of quartz-like TX2 materials. The total tetrahedral distortion and its most sizable contribution, the angular part (angular tetrahedral distortion), are found to be strongly dependent on the chemical composition and to increase in the order of BeF2 Graphical AbstractView on a quartz unit-cell with TX4 tetrahedra.Figure optionsDownload full-size imageDownload as PowerPoint slide
Related Topics
Physical Sciences and Engineering
Chemistry
Inorganic Chemistry
Authors
Martijn A. Zwijnenburg, Robert Huenerbein, Robert G. Bell, Furio Corà,