The vibrational spectroscopy of minerals

Martens, Wayde Neil (2004) The vibrational spectroscopy of minerals. PhD by Publication, Queensland University of Technology.


This thesis focuses on the vibrational spectroscopy of the aragonite and

vivianite arsenate minerals (erythrite, annabergite and hörnesite), specifically the

assignment of the spectra. The infrared and Raman spectra of cerussite have been

assigned according to the vibrational symmetry species. The assignment of satellite

bands to 18O isotopes has been discussed with respect to the use of these bands to the

quantification of the isotopes. Overtone and combination bands have been assigned

according to symmetry species and their corresponding fundamental vibrations. The

vibrational spectra of cerussite have been compared with other aragonite group

minerals and the differences explained on the basis of differing chemistry and crystal

structures of these minerals.

The single crystal spectra of natural erythrite has been reported and compared

with the synthetic equivalent. The symmetry species of the vibrations have been

assigned according to single crystal and factor group considerations. Deuteration

experiments have allowed the assignment of water vibrational freque ncies to discrete

water molecules in the crystal structure. Differences in the spectra of other vivianite

arsenates, namely annabergite and hörnesite, have been explained by consideration of

their differing chemistry and crystal structures.

A novel approach to the assignment of site occupancy of ions in the erythrite -

annabergite solid solution has been reported. This approach has utilised vibrational

spectroscopy, in conjunction with careful consideration of the crystal structures of the

minerals. It has been shown that in the erythrite - annabergite solid solution Coprefers metal site 2 contrasting nickel which prefers site 1. This study in conjunction

with other studies has yielded the trend that the more electronegative metal prefers to

occupy site 1, with the least electronegative metal preferring to occupy site 2.

Fundamentally this thesis has increased the knowledge base of the

spectroscopic properties of the aragonite and the vivianite minerals. The site

occupancy of metal ion substitutions in solid solution series of the vivianite group of

minerals has been further enhanced, with novel method of studying the site occupancy

of ions in solid solutions has been developed. A detailed knowledge and

understanding of factor group analysis applied to the study of minerals has been


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ID Code: 15940
Item Type: QUT Thesis (PhD by Publication)
Supervisor: Frost, Raymond & Rintoul, Llewellyn
Keywords: Annabergite, Aragonite, Arupite, Baricite, Cerussite, Erythrite, Hörnesite, Infrared Spectroscopy, Köttigite, Minerals, Parasymplesite, Raman Spectroscopy, Solid Solutions, Strontianite, Vibrational Spectroscopy, Vivianite, Witherite
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Past > Schools > School of Physical & Chemical Sciences
Department: Faculty of Science
Institution: Queensland University of Technology
Copyright Owner: Copyright Wayde Neil Martens
Deposited On: 03 Dec 2008 03:53
Last Modified: 22 Feb 2013 02:25

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