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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|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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