A computational study into the (tetrahedral) distortion of TX2 α-quartz materials: The effect of changing the chemical composition away from SiO2

Journal of Solid State Chemistry

Volumn 179, Issue 11, 2006, Pages 3429-3436

  Zwijnenburg, Martijn A ^a   Huenerbein, Robert ^a   Bell, Robert G ^a,b   Corà, Furio ^a,b  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

Chalcogenide; DFT; Distortion; Germania; Hypothetical frameworks; Quartz; Silica; Tetrahedral distortion; Zeolite

Indexed keywords

CHEMICAL BONDS; COMPOSITION; COMPUTATIONAL METHODS; PROBABILITY DENSITY FUNCTION; SILICA; ZEOLITES;

CHALCOGENIDE; DFT; DISTORTION; GERMANIA; HYPOTHETICAL FRAMEWORKS; TETRAHEDRAL DISTORTION;

QUARTZ;

EID: 33748530304     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2006.07.011     Document Type: Article

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