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Title: Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} series

Abstract

A series of single phase compounds with nominal stoichiometry Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln{sub 2}TiO{sub 5} series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5} showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The idealmore » crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm{sub 2}TiO{sub 5}. • Systematic study of crystal structure types within Ln{sub 2}TiO{sub 5} series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures.« less

Authors:
 [1];  [2];  [3]
  1. School of Chemistry, The University of New South Wales, Sydney, NSW 2052 (Australia)
  2. Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)
  3. Bragg Institute, Australian Nuclear Science and Technology Organisation, Menai, NSW 2234 (Australia)
Publication Date:
OSTI Identifier:
22334219
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 213; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; FLUORITE; FOURIER TRANSFORMATION; HCP LATTICES; MONOCRYSTALS; NEUTRON DIFFRACTION; ORTHORHOMBIC LATTICES; PYROCHLORE; RARE EARTHS; TITANIUM OXIDES; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION

Citation Formats

Aughterson, Robert D., E-mail: roa@ansto.gov.au, Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006, Lumpkin, Gregory R., E-mail: grl@ansto.gov.au, Reyes, Massey de los, E-mail: mry@ansto.gov.au, Sharma, Neeraj, Ling, Christopher D., E-mail: chris.ling@sydney.edu.au, Gault, Baptiste, Smith, Katherine L., E-mail: kls@ansto.gov.au, Avdeev, Maxim, and Cairney, Julie M., E-mail: julie.cairney@sydney.edu.au. Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} series. United States: N. p., 2014. Web. doi:10.1016/J.JSSC.2014.02.029.
Aughterson, Robert D., E-mail: roa@ansto.gov.au, Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006, Lumpkin, Gregory R., E-mail: grl@ansto.gov.au, Reyes, Massey de los, E-mail: mry@ansto.gov.au, Sharma, Neeraj, Ling, Christopher D., E-mail: chris.ling@sydney.edu.au, Gault, Baptiste, Smith, Katherine L., E-mail: kls@ansto.gov.au, Avdeev, Maxim, & Cairney, Julie M., E-mail: julie.cairney@sydney.edu.au. Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} series. United States. https://doi.org/10.1016/J.JSSC.2014.02.029
Aughterson, Robert D., E-mail: roa@ansto.gov.au, Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006, Lumpkin, Gregory R., E-mail: grl@ansto.gov.au, Reyes, Massey de los, E-mail: mry@ansto.gov.au, Sharma, Neeraj, Ling, Christopher D., E-mail: chris.ling@sydney.edu.au, Gault, Baptiste, Smith, Katherine L., E-mail: kls@ansto.gov.au, Avdeev, Maxim, and Cairney, Julie M., E-mail: julie.cairney@sydney.edu.au. 2014. "Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} series". United States. https://doi.org/10.1016/J.JSSC.2014.02.029.
@article{osti_22334219,
title = {Crystal structures of orthorhombic, hexagonal, and cubic compounds of the Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} series},
author = {Aughterson, Robert D., E-mail: roa@ansto.gov.au and Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 and Lumpkin, Gregory R., E-mail: grl@ansto.gov.au and Reyes, Massey de los, E-mail: mry@ansto.gov.au and Sharma, Neeraj and Ling, Christopher D., E-mail: chris.ling@sydney.edu.au and Gault, Baptiste and Smith, Katherine L., E-mail: kls@ansto.gov.au and Avdeev, Maxim and Cairney, Julie M., E-mail: julie.cairney@sydney.edu.au},
abstractNote = {A series of single phase compounds with nominal stoichiometry Sm{sub (x)}Yb{sub (2−x)}TiO{sub 5} (x=2, 1.4, 1, 0.6, and 0) have been successfully fabricated to generate a range of crystal structures covering the most common polymorphs previously discovered in the Ln{sub 2}TiO{sub 5} series (Ln=lanthanides and yttrium). Four of the five samples have not been previously fabricated in bulk, single phase form so their crystal structures are refined and detailed using powder synchrotron and single crystal x-ray diffraction, neutron diffraction and transmission electron microscopy. Based on the phase information from diffraction data, there are four crystal structure types in this series; orthorhombic Pnma, hexagonal P6{sub 3}/mmc, cubic (pyrochlore-like) Fd-3m and cubic (fluorite-like) Fm-3m. The cubic materials show modulated structures with variation between long and short range ordering and the variety of diffraction techniques were used to describe these complex crystal structure types. - Graphical abstract: A high resolution image of the compound Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5} showing contrast from lattice fringes and the corresponding fast Fourier transform (FFT) of the HREM image with pyrochlore related diffraction spots marked “P” and fluorite marked “F”. The crystal is oriented down the [1 1 0] zone axis based on the Fd-3m structure. The ideal crystal structure (no vacancies) of the cubic, pyrochlore-like (Sm{sub 0.6}Yb{sub 1.4}TiO{sub 5}). - Highlights: • First fabrication of bulk single-phase material with stoichiometry Sm{sub 2}TiO{sub 5}. • Systematic study of crystal structure types within Ln{sub 2}TiO{sub 5} series (Ln=lanthanides). • A novel technique using IFFT of HREM images to study cubic structures.},
doi = {10.1016/J.JSSC.2014.02.029},
url = {https://www.osti.gov/biblio/22334219}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 213,
place = {United States},
year = {Thu May 01 00:00:00 EDT 2014},
month = {Thu May 01 00:00:00 EDT 2014}
}