Synthesis and Crystal Structure of Cubic Ca₁₆Si₁₇N₃₄

_{29/noviembre/2012}

_{Paulina Levario}

_{Since the late 1960s, the exact structure of cubic calcium silicon nitride has been a source of debate. This paper offers evidence that the cubic phase CaSiN2 described in the literature is actually Ca16Si17N34. Presented here is a method for synthesizing single crystals of cubic-calcium silicon nitride from calcium nitride and elemental silicon under flowing nitrogen at 1500 °C. The colorless millimeter-sized crystals of Ca16Si17N34 with a refractive index (n25) = 1.590 were found to be cubic (a = 14.8882 Å) and belong to the space groupF4̅3m (216). The synthesis of bulk, powdered cubic-Ca16Si17N34 from calcium cyanamide and silicon is also discussed. Ca16Si17N34 is a relatively air-stable refractory ceramic. In contrast to the orthorhombic phase of CaSiN2, in which Ca²⁺ sits in octahedral sites, this cubic phase has Ca²⁺ in cubic sites that makes it an interesting host for new phosphors and gives rise to unique crystal field splitting.}

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Synthesis and Crystal Structure of Cubic Ca16Si17N34

Sandra M. Hick, Mattheu I. Miller, Richard B. Kaner, and Richard G. Blair

Inorganic Chemistry Article ASAP

DOI: 10.1021/ic300627q

Publication Date (Web): November 16, 2012

Copyright © 2012 American Chemical Society

http://pubs.acs.org/doi/abs/10.1021/ic300627q