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Debye function analysis of nanocrystalline gallium oxide γ-Ga2O3

  • Olga Nikulina EMAIL logo , Dmitriy Yatsenko , Olga Bulavchenko , Galina Zenkovets and Sergey Tsybulya
Published/Copyright: February 6, 2016
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 231 Issue 5

Abstract

The metastable nanocrystalline γ-Ga2O3 with the particles’ dimensions about 2 nm was prepared by coprecipitation method and its structure was studied using X-ray powder diffraction. The corresponding diffraction pattern is characterized by a strong broadening of diffraction peaks. The Debye function analysis method (DFA) was applied to calculate the full profile of the XRD pattern for the first time. Earlier reported structural models of the γ-Ga2O3 were examined with respect to experimental diffraction data. The influence of crystallite sizes on the diffraction pattern was considered. The obtained structure of the disordered γ-Ga2O3 has vacancies in 8a and 16d spinel positions and additional atoms in 8b, 16c and 48f non-spinel positions. The proposed structure differs from those reported by the ratio between occupancies of the tetrahedral and octahedral gallium positions.

Keywords: Debye function analysis; nanocrystal structure; powder X-ray diffraction; structure determination
Corresponding author: Olga Nikulina, Novosibirsk State University, Pirogova Str. 2, Novosibirsk, Russia, 630090; and Boreskov Institute of Catalysis, pr. Lavrentieva 5, Novosibirsk, Russia, 630090, E-mail:

Acknowledgments

The authors gratefully acknowledge the financial support from the Russian Science Foundation (project 14-23-00037). We also thank E.J. Gerasimov for the TEM data.

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Received: 2015-7-14
Accepted: 2016-1-14
Published Online: 2016-2-6
Published in Print: 2016-5-1

©2016 by De Gruyter

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. β-K2Se2 and K2Se4: missing links in the binary system K-Se
  5. Debye function analysis of nanocrystalline gallium oxide γ-Ga2O3
  6. Crystal structure of the alluaudite Ag2Mn3(VO4)3
  7. Organic and Metalorganic Crystal Structures
  8. Crystal structures of (E)-2-((2-((pyridin-2-yl)hydrazonyl)methyl)phenolic compounds: different sets of classical hydrogen bonds, X–H···Y (X, Y = O, N)
  9. Syntheses, crystal structures and thermal properties of two novel isostructural Co(III) complexes with salophen ligand
  10. Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups
  11. Crystallographic Computing
  12. Discontinuous modulation functions and their application for analysis of modulated structures with the computing system JANA2006
  13. Corrigendum
  14. Corrigendum to: Disorder, pseudo symmetry and photoluminescence properties of a new diphosphate K2Ba3(P2O7)2
https://doi.org/10.1515/zkri-2015-1895
Keywords for this article
Debye function analysis; nanocrystal structure; powder X-ray diffraction; structure determination

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. β-K2Se2 and K2Se4: missing links in the binary system K-Se
  5. Debye function analysis of nanocrystalline gallium oxide γ-Ga2O3
  6. Crystal structure of the alluaudite Ag2Mn3(VO4)3
  7. Organic and Metalorganic Crystal Structures
  8. Crystal structures of (E)-2-((2-((pyridin-2-yl)hydrazonyl)methyl)phenolic compounds: different sets of classical hydrogen bonds, X–H···Y (X, Y = O, N)
  9. Syntheses, crystal structures and thermal properties of two novel isostructural Co(III) complexes with salophen ligand
  10. Crystal structures and vibrational spectra of biuret co-crystals with cyanuric and glutaric acids, discussion of hydrogen bonding involving carbonyl groups
  11. Crystallographic Computing
  12. Discontinuous modulation functions and their application for analysis of modulated structures with the computing system JANA2006
  13. Corrigendum
  14. Corrigendum to: Disorder, pseudo symmetry and photoluminescence properties of a new diphosphate K2Ba3(P2O7)2
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