The structure of phurcalite –a vibrational spectroscopic study

Frost, Ray L., Weier, Matt L., Martens, Wayde N., & Cejka, Jiri (2006) The structure of phurcalite –a vibrational spectroscopic study. Vibrational Spectroscopy, 41(2), pp. 205-212.


View at publisher


The uranyl mineral phurcalite of formula Ca2(UO2)3O2(PO4)2.7H2O from three different origins has been studied by Raman spectroscopy at both room temperature and liquid nitrogen temperature in conjunction with infrared spectroscopy. Raman bands are attributed to the (UO2)2+ symmetric stretching vibrations and are complimented by bands assigned to the (UO2)2+ antisymmetric stretching vibrations. U-O bond lengths in uranyls are calculated from the wavenumbers of observed Raman and infrared bands. Raman and infrared bands are attributed to the (PO4)3- symmetric and antisymmetric stretching vibration. Some alternate attributions of the bands to the (UO2)2+ and (PO4)3- stretching vibrations are given. Coincidences of these bands and also of the bands related to the (PO4)3- bending vibrations and libration modes of water molecules are proposed. Multiple bands in the bending region reflect the complexity of the phurcalite structure, as does the complexity of the 200 to 300 cm-1 region where the (UO2)2+ bending modes are expected. Three bands observed in the region 1590-1680 cm-1 and assigned to HOH bending modes show the existence of at least three different types of water molecules with different hydrogen bonding strengths in the phurcalite structure. In the case of the mineral sample MR5, infrared bands observed at 3591, 3537, 3516, 3416, 3256 and 3000 cm-1 are related to the OH stretching region bands. This gives rise to hydrogen bond distances of 2.920 Å, 2.809 Å, 2.724 Å and 2.649 Å.

Impact and interest:

8 citations in Scopus
Search Google Scholar™
8 citations in Web of Science®

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

Full-text downloads:

185 since deposited on 20 Nov 2006
6 in the past twelve months

Full-text downloads displays the total number of times this work’s files (e.g., a PDF) have been downloaded from QUT ePrints as well as the number of downloads in the previous 365 days. The count includes downloads for all files if a work has more than one.

ID Code: 5497
Item Type: Journal Article
Refereed: Yes
Additional Information: This is one of a series of manuscripts on secondary uranium minerals.
Such papers are important from an environmental point of view.
Keywords: phurcalite, uranyl phosphate oxide anion topology, molecular water, Raman and infrared spectroscopy, uranyl bond lengths, hydrogen bonds
DOI: 10.1016/j.vibspec.2006.02.005
ISSN: 0924-2031
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > INORGANIC CHEMISTRY (030200)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2006 Elsevier
Copyright Statement: Reproduced in accordance with the copyright policy of the publisher.
Deposited On: 20 Nov 2006 00:00
Last Modified: 29 Feb 2012 13:24

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page