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A vibrational spectroscopic study of the phosphate mineral Wardite NaAl3(PO4)2(OH)4•2(H2O)

Frost, Ray L. & Xi, Yunfei (2012) A vibrational spectroscopic study of the phosphate mineral Wardite NaAl3(PO4)2(OH)4•2(H2O). Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy, 93, pp. 155-163.

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Abstract

Three wardite mineral samples from different origins have been analysed by vibrational spectroscopy. The mineral is unusual in that it belongs to a unique symmetry class, namely the tetragonal-trapezohedral group. The structure of wardite contains layers of corner-linked –OH bridged MO6 octahedra stacked along the tetragonal C-axis in a four-layer sequence and linked by PO4 groups. Consequentially not all phosphate units are identical. Thus, two intense Raman bands observed at 995 and 1051 cm-1 are assigned to the ν1 PO43- symmetric stretching mode. Intense Raman bands are observed at 605 and 618 cm-1 with shoulders at 578 and 589 cm-1 are assigned to the ν4 out of plane bending modes of the PO43-. The observation of multiple bands supports the concept of non-equivalent phosphate units in the structure. Sharp infrared bands are observed at 3544 and 3611 cm-1 are attributed to the OH stretching vibrations of the hydroxyl units. Vibrational spectroscopy enables subtle details of the molecular structure of wardite to be determined.

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ID Code: 49524
Item Type: Journal Article
Keywords: wardite, cyrilovite, phosphate, hydroxyl, Raman spectroscopy
DOI: 10.1016/j.saa.2012.02.103
ISSN: 1873-3557
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2012 Elsevier B.V.
Copyright Statement: NOTICE: 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: 93, ISSUE: July, 2012 DOI: 10.1016/j.saa.2012.02.103 Reference: http://www.elsevier.com/wps/find/authorsview.authors/postingpolicy#Scholarly
Deposited On: 04 Apr 2012 13:54
Last Modified: 08 Sep 2013 21:47

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