| Home > Publications database > Structure and phase transition in BaThO 3 : A combined neutron and synchrotron X-ray diffraction study > print |
| 001 | 837116 | ||
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| 024 | 7 | _ | |a 10.1016/j.jallcom.2017.08.200 |2 doi |
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| 100 | 1 | _ | |a Murphy, Gabriel L. |0 P:(DE-HGF)0 |b 0 |
| 245 | _ | _ | |a Structure and phase transition in BaThO 3 : A combined neutron and synchrotron X-ray diffraction study |
| 260 | _ | _ | |a Lausanne |c 2017 |b Elsevier |
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| 520 | _ | _ | |a 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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| 700 | 1 | _ | |a Kennedy, Brendan J. |0 0000-0003-4352-136X |b 1 |e Corresponding author |
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