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}

Journal Article · Wed Apr 15 00:00:00 EDT 2009 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2008.12.019· OSTI ID:21370337

Lopez-de-la-Torre, Laura ^[1]; Friedrich, Alexandra ^[1]; Juarez-Arellano, Erick A; Winkler, Bjoern; Wilson, Dan J; Bayarjargal, Lkhamsuren ^[1]; Hanfland, Michael ^[2]; Burianek, Manfred; Muehlberg, Manfred; Schneider, Hartmut ^[3]

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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)

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}.

• OSTI ID: 21370337
• Journal Information: Journal of Solid State Chemistry, Vol. 182, 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.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

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