Raman spectroscopy of newberyite Mg(PO3OH)•3H2O – a cave mineral

Frost, Ray L., Palmer, Sara J., & Pogson, Ross (2011) Raman spectroscopy of newberyite Mg(PO3OH)•3H2O – a cave mineral. Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, 79(5), pp. 1149-1153.

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Newberyite Mg(PO3OH)•3H2O is a mineral found in caves such as from Moorba cave, Jurien Bay, Western Australia, the Skipton Lava tubes (SW of Ballarat, Victoria, Australia) and in the Petrogale Cave (Madura , Eucla, Western Australia). Because these minerals contain oxyanions, hydroxyl units and water, the minerals lend themselves to spectroscopic analysis. Raman spectroscopy can investigate the complex paragenetic relationships existing between a number of ‘cave’ minerals.

The intense sharp band at 982 cm-1 is assigned to the PO43- ν1 symmetric stretching mode. Low intensity Raman bands at 1152, 1263 and 1277 cm-1 are assigned to the PO43- ν3 antisymmetric stretching vibrations. Raman bands at 497 and 552 cm-1 are attributed to the PO43- ν4 bending modes. An intense Raman band for newberyite at 398 cm-1 with a shoulder band at 413 cm-1 is assigned to the PO43- ν2 bending modes. The values for the OH stretching vibrations provide hydrogen bond distances of 2.728Å (3267 cm-1), 2.781Å (3374cm-1), 2.868Å (3479 cm-1), and 2.918Å (3515 cm-1). Such hydrogen bond distances are typical of secondary minerals. Estimates of the hydrogen-bond distances have been made from the position of the OH stretching vibrations and show a wide range in both strong and weak bonds.

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ID Code: 42532
Item Type: Journal Article
Refereed: Yes
Keywords: newberyite, Raman spectroscopy, cave mineral, struvite, hannayite, stercorite, mundrabillaite
DOI: 10.1016/j.saa.2011.04.035
ISSN: 1386-1425
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Past > Schools > Chemistry
Past > QUT Faculties & Divisions > Faculty of Science and Technology
Copyright Owner: Copyright 2011 Elsevier
Copyright Statement: This is the author’s version of a work that was accepted for publication in Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, [VOL 79, ISSUE 5, (2011)] DOI: 10.1016/j.saa.2011.04.035
Deposited On: 11 Jul 2011 23:44
Last Modified: 07 May 2014 22:43

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