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• W2897096630 abstract "Room-temperature vibrational and photoluminescence (PL) spectra of a natural, rare hydrated calcium copper uranyl carbonate mineral, voglite (Ca2Cu(UO2)(CO3)4·6H2O) are recorded and discussed in details. Vibrational spectroscopy gives information about the structure of voglite, which is still missing due to its unknown crystallographic features. By comparison with other uranyl carbonates and sulfates, a strong Raman line occurring at 834 cm−1 is assigned to the ν1(UO2)2+ symmetric stretching vibration rather than to the ν2(CO3)2− out-of-plane bending vibration. The ν3(UO2)2+ antisymmetric stretching vibration is tentatively identified at 897 cm−1 from infrared (IR) spectroscopy. Several well resolved bands found at 1074,1092, 1381, 1566 cm−1 in the Raman and 1046, 1114, 1145, 1376, 1426, 1510, 1561 cm−1 in the IR are ascribed to symmetric and antisymmetric stretching motions of the carbonate units. The presence of all these intense vibrational bands points to different CO bond lengths. The infrared water band is well structured, suggesting a few different OH moieties in the crystal. Original micro-PL spectra show a manifold of vibronic features whose energy spacing is close to the frequency of the symmetric OUO stretching vibration and confirms the uranium origin of the most intense Raman band. The study suggests that voglite structure has no inversion centers, a low symmetry, and contains molecular units similar to those of the parent phases, andersonite or liebigite, like uranyl tricarbonate clusters (UTC). The existence of these UTCs in voglite is confirmed by density functional theory calculations. A new assignment of all vibrational modes is proposed." @default.
• W2897096630 created "2018-10-26" @default.
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• W2897096630 date "2018-11-01" @default.
• W2897096630 modified "2023-10-14" @default.
• W2897096630 title "Vibrational spectroscopy of a crystallographically unsettled uranyl carbonate: Structural impact and model" @default.
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• W2897096630 doi "https://doi.org/10.1016/j.vibspec.2018.10.004" @default.
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