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Title: Raman spectroscopic study of natural and synthetic brannerite
Authors: Zhang, Y
Karatchevtseva, I
Qin, MJ
Middleburgh, SC
Lumpkin, GR
Keywords: Raman spectra
Oscillation modes
Photoelectron spectroscopy
Issue Date: 23-Jun-2013
Publisher: Elsevier
Citation: Zhang, Y., Karatchevtseva, I., Qin, M., Middleburgh, S. C., & Lumpkin, G. R. (2013). Raman spectroscopic study of natural and synthetic brannerite. Journal of Nuclear Materials, 437(1-3), 149-153. doi:10.1016/j.jnucmat.2013.02.004
Abstract: Raman spectra of a well-characterized natural brannerite and some synthetic brannerite samples have been collected and analysed. For the first time, all 12 theoretical Raman polyhedraof CeTi2O6 with brannerite structure have been positively identified by using quantum chemical calculations based on density functional theory (DFT) and assigned to the spectra. For synthetic samples with Y or Ca substitution on the U site and Fe substitution on the Ti site, Y–O, Fe–O and U–O vibrational modes are tentatively assigned. The U–O bond lengths for the uranyl (UO2)2+ groups, have been calculated by using the measured wavenumbers of ν1 (UO2)2+ symmetric stretching vibrations and compared with the published U–O bond lengths of a natural brannerite. © 2013 Elsevier B.V.
Gov't Doc #: 6237
ISSN: 0022-3115
Appears in Collections:Journal Articles

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