Journal Article

FZJ-2017-06105

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structure and phase transition in BaThO 3 : A combined neutron and synchrotron X-ray diffraction study

Murphy, G. L. ; Kennedy, B. J. (Corresponding author)Extern* ; Zhang, Z. ; Avdeev, M. ; Brand, H. E. A. ; Kegler, P.FZJ* ; Alekseev, E.FZJ*

2017
Elsevier Lausanne

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Please use a persistent id in citations: doi:10.1016/j.jallcom.2017.08.200

Abstract: The structure of BaThO3, obtained by solid state synthesis, was refined for the first time by the Rietveld method using a combination of synchrotron X-ray and neutron powder diffraction data. BaThO3 has an orthorhombic structure at room temperature, in space group Pbnm with a = 6.3491(5), b = 6.3796(4) and c = 8.9907(7) Å. Heating BaThO3 to above 700 °C results in a continuous transition to a second orthorhombic structure, in space group Ibmm, demonstrated by both in situ neutron and synchrotron X-ray powder diffraction measurements. The coefficient of volumetric thermal expansion for BaThO3 is determined to be 1.04 × 10−5 °C-1 from 50 to 625 °C (Pbnm phase), and 9.43 × 10−6 °C-1 from 800 to 1000 °C (Ibmm phase). BaThO3 was found to decompose upon exposure to atmospheric moisture resulting in the formation of ThO2. The thermal expansion of ThO2, which invariably co-exists with BaThO3, is also described.

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Contributing Institute(s):

1. Nukleare Entsorgung und Reaktorsicherheit (IEK-6)

Research Program(s):

1. 161 - Nuclear Waste Management (POF3-161) (POF3-161)
2. Helmholtz Young Investigators Group: Energy (HGF-YIG-Energy) (HGF-YIG-Energy)

Appears in the scientific report 2017

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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