The 3R polymorph of CaSi{sub 2}

The Zintl phase CaSi{sub 2} commonly occurs in the 6R structure where puckered hexagon layers of Si atoms are stacked in an AA′BB′CC′ fashion. In this study we show that sintering of CaSi{sub 2} in a hydrogen atmosphere (30 bar) at temperatures between 200 and 700 °C transforms 6R-CaSi{sub 2} quanti...

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Veröffentlicht in:	Journal of solid state chemistry 2015-02, Vol.222
Hauptverfasser:	Nedumkandathil, Reji, Benson, Daryn E., Grins, Jekabs, Spektor, Kristina, Häussermann, Ulrich
Format:	Artikel
Sprache:	eng
Schlagworte:	CALCIUM CALCIUM SILICIDES DEFECTS DENSITY FUNCTIONAL METHOD ENTROPY HYDROGEN INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY SINTERING SPACE GROUPS STABILITY SYNTHESIS
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