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High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19)

Huppertz, Hubert and Hering, Stefanie A. and Zvoriste, Carmen E. and Lauterbach, Stefan and Oeckler, Oliver and Riedel, Ralf and Kinski, Isabel (2009):
High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19).
21, In: Chemistry of Materials, (10), pp. 2101-2107. ACS, ISSN 0897-4756,
[Article]

Abstract

Under high-pressure/high-temperature conditions of 5 GPa and 1250 °C, the cubic phase Ga2.790.21(O3.05N0.760.19) ( = vacancy) was synthesized in a Walker-type multianvil apparatus. For the first time, the crystal structure of a gallium oxonitride was determined on the basis of single crystal X-ray diffraction data. The cubic spinel-type gallium oxonitride crystallizes in the space group Fd3̅m (No. 227) with a lattice parameter a0 = 827.8(2) pm. The combination of energy-dispersive X-ray spectroscopy (EDS) with electron energy-loss spectroscopy (EELS) allowed the quantification of nitrogen and oxygen for structural refinement. In the literature dealing with oxonitrides, crystal defects in spinel-type materials are handled with different models, mainly the approximation of a constant anion model. The present results indicate that this model is questionable, and one should also take into account a model with both cation and anion vacancies. Furthermore, a linear relationship between the lattice parameters and the ratio N/O in the gallium oxonitrides is questionable.

Item Type: Article
Erschienen: 2009
Creators: Huppertz, Hubert and Hering, Stefanie A. and Zvoriste, Carmen E. and Lauterbach, Stefan and Oeckler, Oliver and Riedel, Ralf and Kinski, Isabel
Title: High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19)
Language: English
Abstract:

Under high-pressure/high-temperature conditions of 5 GPa and 1250 °C, the cubic phase Ga2.790.21(O3.05N0.760.19) ( = vacancy) was synthesized in a Walker-type multianvil apparatus. For the first time, the crystal structure of a gallium oxonitride was determined on the basis of single crystal X-ray diffraction data. The cubic spinel-type gallium oxonitride crystallizes in the space group Fd3̅m (No. 227) with a lattice parameter a0 = 827.8(2) pm. The combination of energy-dispersive X-ray spectroscopy (EDS) with electron energy-loss spectroscopy (EELS) allowed the quantification of nitrogen and oxygen for structural refinement. In the literature dealing with oxonitrides, crystal defects in spinel-type materials are handled with different models, mainly the approximation of a constant anion model. The present results indicate that this model is questionable, and one should also take into account a model with both cation and anion vacancies. Furthermore, a linear relationship between the lattice parameters and the ratio N/O in the gallium oxonitrides is questionable.

Journal or Publication Title: Chemistry of Materials
Volume: 21
Number: 10
Publisher: ACS
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 12 Apr 2012 09:20
Official URL: http://dx.doi.org/10.1021/cm803371k
Identification Number: doi:10.1021/cm803371k
Funders: This work was financially supported by the Deutsche Forschungsgemeinschaft HU 966/5-1 and KI 838/3-1., H. Huppertz and R. Riedel are indebted to the Fonds der Chemischen Industrie for financial support.
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