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Title: High-pressure behavior of the ternary bismuth oxides Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Ga{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10}

Abstract

The high-pressure behavior of Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Mn{sub 4}O{sub 10} and Bi{sub 2}Ga{sub 4}O{sub 9} was investigated by in situ powder synchrotron X-ray diffraction. Pressures up to 35 GPa were generated using the diamond anvil cell technique. Complementary data of the pressure dependence of Bi{sub 2}Ga{sub 4}O{sub 9} were obtained by density functional theory-based model calculations. Bi{sub 2}Al{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10} are structurally stable to the highest pressures obtained. In contrast, a reversible phase transition is observed in Bi{sub 2}Ga{sub 4}O{sub 9} at approximately 16 GPa. A fit of a 3rd-order Birch-Murnaghan equation of state to the p-V data results in V{sub 0}=356.93(9)A{sup 3}, B{sub 0}=122(2)GPa and B{sup '}=4.9(3) for Bi{sub 2}Al{sub 4}O{sub 9}; V{sub 0}=372.27(1)A{sup 3}, B{sub 0}=138(2)GPa and B{sup '}=4.2(2) for Bi{sub 2}Mn{sub 4}O{sub 10}; and V{sub 0}=388.63(3)A{sup 3}, B{sub 0}=102(8)GPa and B{sup '}=3.8(2) for Bi{sub 2}Ga{sub 4}O{sub 9}. The most compressible axis is the a axis for all the compounds. This behavior can be rationalized in terms of the inflexible polyhedra connections parallel to the b and c axes. - The influence of cation substitution on the high-pressure behavior of ternary bismuth oxides was investigated by powder X-ray diffraction using themore » diamond anvil cell technique. While Bi{sub 2}Ga{sub 4}O{sub 9} shows a reversible phase transition at approximately 16 GPa, Bi{sub 2}Al{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10} are structurally stable up to 29 and 35 GPa, respectively. Complementary density functional theory-based model calculations were performed on Bi{sub 2}Ga{sub 4}O{sub 9}.« less

Authors:
 [1];  [1]; ; ; ;  [1];  [2]; ; ;  [3]
  1. Institut fuer Geowissenschaften, Abt. Kristallographie, Goethe-Universitaet Frankfurt, Altenhoeferallee 1, D-60438 Frankfurt am Main (Germany)
  2. ESRF, BP 220, F-38043, Grenoble CEDEX (France)
  3. Institut fuer Kristallographie, Universitaet zu Koeln, Zuelpicherstrasse 49b, D-50674 Cologne (Germany)
Publication Date:
OSTI Identifier:
21370337
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 182; Journal Issue: 4; Other Information: DOI: 10.1016/j.jssc.2008.12.019; PII: S0022-4596(08)00647-6; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALUMINIUM COMPOUNDS; BISMUTH OXIDES; DENSITY FUNCTIONAL METHOD; EQUATIONS OF STATE; GALLIUM COMPOUNDS; MANGANESE COMPOUNDS; PHASE TRANSFORMATIONS; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; X-RAY DIFFRACTION; BISMUTH COMPOUNDS; CALCULATION METHODS; CHALCOGENIDES; COHERENT SCATTERING; DIFFRACTION; EQUATIONS; OXIDES; OXYGEN COMPOUNDS; PRESSURE RANGE; SCATTERING; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS

Citation Formats

Lopez-de-la-Torre, Laura, Friedrich, Alexandra, Juarez-Arellano, Erick A, Winkler, Bjoern, Wilson, Dan J, Bayarjargal, Lkhamsuren, Hanfland, Michael, Burianek, Manfred, Muehlberg, Manfred, and Schneider, Hartmut. High-pressure behavior of the ternary bismuth oxides Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Ga{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10}. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2008.12.019.
Lopez-de-la-Torre, Laura, Friedrich, Alexandra, Juarez-Arellano, Erick A, Winkler, Bjoern, Wilson, Dan J, Bayarjargal, Lkhamsuren, Hanfland, Michael, Burianek, Manfred, Muehlberg, Manfred, & Schneider, Hartmut. High-pressure behavior of the ternary bismuth oxides Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Ga{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10}. United States. https://doi.org/10.1016/j.jssc.2008.12.019
Lopez-de-la-Torre, Laura, Friedrich, Alexandra, Juarez-Arellano, Erick A, Winkler, Bjoern, Wilson, Dan J, Bayarjargal, Lkhamsuren, Hanfland, Michael, Burianek, Manfred, Muehlberg, Manfred, and Schneider, Hartmut. 2009. "High-pressure behavior of the ternary bismuth oxides Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Ga{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10}". United States. https://doi.org/10.1016/j.jssc.2008.12.019.
@article{osti_21370337,
title = {High-pressure behavior of the ternary bismuth oxides Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Ga{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10}},
author = {Lopez-de-la-Torre, Laura and Friedrich, Alexandra and Juarez-Arellano, Erick A and Winkler, Bjoern and Wilson, Dan J and Bayarjargal, Lkhamsuren and Hanfland, Michael and Burianek, Manfred and Muehlberg, Manfred and Schneider, Hartmut},
abstractNote = {The high-pressure behavior of Bi{sub 2}Al{sub 4}O{sub 9}, Bi{sub 2}Mn{sub 4}O{sub 10} and Bi{sub 2}Ga{sub 4}O{sub 9} was investigated by in situ powder synchrotron X-ray diffraction. Pressures up to 35 GPa were generated using the diamond anvil cell technique. Complementary data of the pressure dependence of Bi{sub 2}Ga{sub 4}O{sub 9} were obtained by density functional theory-based model calculations. Bi{sub 2}Al{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10} are structurally stable to the highest pressures obtained. In contrast, a reversible phase transition is observed in Bi{sub 2}Ga{sub 4}O{sub 9} at approximately 16 GPa. A fit of a 3rd-order Birch-Murnaghan equation of state to the p-V data results in V{sub 0}=356.93(9)A{sup 3}, B{sub 0}=122(2)GPa and B{sup '}=4.9(3) for Bi{sub 2}Al{sub 4}O{sub 9}; V{sub 0}=372.27(1)A{sup 3}, B{sub 0}=138(2)GPa and B{sup '}=4.2(2) for Bi{sub 2}Mn{sub 4}O{sub 10}; and V{sub 0}=388.63(3)A{sup 3}, B{sub 0}=102(8)GPa and B{sup '}=3.8(2) for Bi{sub 2}Ga{sub 4}O{sub 9}. The most compressible axis is the a axis for all the compounds. This behavior can be rationalized in terms of the inflexible polyhedra connections parallel to the b and c axes. - The influence of cation substitution on the high-pressure behavior of ternary bismuth oxides was investigated by powder X-ray diffraction using the diamond anvil cell technique. While Bi{sub 2}Ga{sub 4}O{sub 9} shows a reversible phase transition at approximately 16 GPa, Bi{sub 2}Al{sub 4}O{sub 9} and Bi{sub 2}Mn{sub 4}O{sub 10} are structurally stable up to 29 and 35 GPa, respectively. Complementary density functional theory-based model calculations were performed on Bi{sub 2}Ga{sub 4}O{sub 9}.},
doi = {10.1016/j.jssc.2008.12.019},
url = {https://www.osti.gov/biblio/21370337}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 4,
volume = 182,
place = {United States},
year = {2009},
month = {4}
}