Vibrational spectroscopic characterization of the sulphate–halide mineral sulphohalite – implications for evaporites

Frost, Ray L., Scholz, Ricardo, López, Andrés, & Theiss, Frederick L. (2014) Vibrational spectroscopic characterization of the sulphate–halide mineral sulphohalite – implications for evaporites. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 133, pp. 794-798.

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The mineral sulphohalite – Na6(SO4)2FCl is a rare sodium halogen sulphate and occurs associated with evaporitic deposits. Sulphohalite formation is important in saline evaporites and in pipe scales. Sulphohalite is an anhydrous sulphate–halide with an apparent variable anion ratio of formula Na6(SO4)2FCl. Such a formula with oxyanions lends itself to vibrational spectroscopy. The Raman band at 1003 cm−1 is assigned to the (SO4)2− ν1 symmetric stretching mode. Shoulders to this band are found at 997 and 1010 cm−1. The low intensity Raman bands at 1128, 1120 and even 1132 cm−1 are attributed to the (SO4)2− ν3 antisymmetric stretching vibrations. Two symmetric sulphate stretching modes are observed indicating at least at the molecular level the non-equivalence of the sulphate ions in the sulphohalite structure. The Raman bands at 635 and 624 cm−1 are assigned to the ν4 SO42− bending modes. The ν2 (SO4)2− bending modes are observed at 460 and 494 cm−1. The observation of multiple bands supports the concept of a reduction in symmetry of the sulphate anion from Td to C3v or even C2v. No evidence of bands attributable to the halide ions was found.

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ID Code: 73667
Item Type: Journal Article
Refereed: Yes
Keywords: Raman spectroscopy, Sulphohalite, Sulphate, Chloride, Fluoride, Evaporite
DOI: 10.1016/j.saa.2014.06.008
ISSN: 13861425
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 2014 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. 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, [Volume 133, (10 December 2014)] DOI: 10.1016/j.saa.2014.06.008
Deposited On: 09 Jul 2014 23:52
Last Modified: 13 Dec 2016 06:00

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