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A Raman spectroscopic study of the uranyl phosphate mineral bergenite

Frost, Ray L., Ayoko, Godwin A., Cejka, Jiri, & Weier, Matt L. (2007) A Raman spectroscopic study of the uranyl phosphate mineral bergenite. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 66(4-5), pp. 979-984.

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Abstract

Raman spectroscopy at 298 and 77 K of bergenite has been used to characterise this uranyl phosphate mineral. Bands at 995, 971 and 961 cm-1 (298 K) and 1006, 996, 971, 960 and 948 cm-1 (77 K) are assigned to the ν1 (PO4)3- symmetric stretching vibration. Three bands at 1059, 1107 and 1152 cm-1 (298 K) and 1061, 1114 and 1164 cm-1 (77 K) are attributed to the the ν3 (PO4)3- antisymmetric stretching vibrations. Two bands at 810 and 798 cm-1 ( 298 K) and 812 and 800 cm-1 (77 K) are attributed to the ν1 symmetric stretching vibration of the (UO2)2+ units. Bands at 860 cm-1 (298 K) and 866 cm-1 (77 K) are assigned to the ν3 antisymmetric stretching vibrations of the (UO2)2+ units. U-O bond lengths in uranyls, calculated using the wavenumbers of the ○1 and ○3 (UO2)2+ vibrations with empirical relations by Bartlett and Cooney, are in agreement with the X-ray single crystal structure data. Bands at (444, 432, 408 cm-1) (298 K), and (446, 434, 410 and 393 cm-1) (77 K) are assigned to the split doubly degenerate ○2 (PO4)3- in-plane bending vibrations. The band at 547 cm-1 (298 K) and 549 cm-1 (77 K) are attributed to the ○4 (PO4)3- out-of-plane bending vibrations. Raman bands at 3607, 3459, 3295 and 2944 cm-1 are attributed to water stretching vibrations and enable the calculation of hydrogen bond distances of 3.2, 2.847, 2.740 and 2.637 Å. These bands prove the presence of structurally nonequivalent hydrogen bonded water molecules in the structure of bergenite.

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ID Code: 6562
Item Type: Journal Article
Keywords: bergenite, parsonite, threadgoldite, phosphate, Raman spectroscopy, U, O bond length, uranyl
DOI: 10.1016/j.saa.2006.04.036
ISSN: 1386-1425
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Colloid and Surface Chemistry (030603)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2007 Elsevier
Copyright Statement: Reproduced in accordance with the copyright policy of the publisher.
Deposited On: 16 Mar 2007
Last Modified: 29 Feb 2012 23:34

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