An extension of the INA method of structure prediction to tectosilicates: the example of coesite at variable pressure

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Marco E. Ciriotti
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An extension of the INA method of structure prediction to tectosilicates: the example of coesite at variable pressure

Messaggio da Marco E. Ciriotti » mar 06 feb, 2018 10:51

Prossima pubblicazione.

Referenza:
▪ Reifenberg, M. & Thomas, N.W. (2018): An extension of the INA method of structure prediction to tectosilicates: the example of coesite at variable pressure. Acta Crystallographica, B74, (in press).

Synopsis:
The method of Ionic Network Analysis is extended to framework silicates by means of a pseudocubic representation of the SiO4 tetrahedra. This permits the prediction of crystal structures under novel (p–T–X) conditions, as demonstrated for the coesite polymorph of SiO2.
Marco E. Ciriotti

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