Title

Synthesis and Crystal Structure of Cubic Ca16Si17N34

Authors

Authors

S. M. Hick; M. I. Miller; R. B. Kaner;R. G. Blair

Comments

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Abbreviated Journal Title

Inorg. Chem.

Keywords

NA FLUX; GROWTH; NITRIDES; PHOSPHOR; LUMINESCENCE; CASIN2; SYSTEM; ALN; GAN; Chemistry, Inorganic & Nuclear

Abstract

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 degrees C. The colorless millimeter-sized crystals of Ca16Si17N34 with a refractive index (n(25)) = 1.590 were found to be cubic (a = 14.8882 angstrom) and belong to the space group F (4) over bar 3m (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.

Journal Title

Inorganic Chemistry

Volume

51

Issue/Number

23

Publication Date

1-1-2012

Document Type

Article

Language

English

First Page

12626

Last Page

12629

WOS Identifier

WOS:000311772600008

ISSN

0020-1669

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