Title of article
A computational study into the (tetrahedral) distortion of TX2 α-quartz materials: The effect of changing the chemical composition away from SiO2
Author/Authors
Martijn A. Zwijnenburg، نويسنده , , Robert Huenerbein، نويسنده , , Robert G. Bell، نويسنده , , Furio Cora، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
8
From page
3429
To page
3436
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
Keywords
Quartz , Zeolite , Silica , Chalcogenide , distortion , Tetrahedral distortion , Hypothetical frameworks , DFT , Germania
Journal title
JOURNAL OF SOLID STATE CHEMISTRY
Serial Year
2006
Journal title
JOURNAL OF SOLID STATE CHEMISTRY
Record number
1332377
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