Jump to ContentJump to Main Navigation
Show Summary Details
More options …

American Mineralogist

Journal of Earth and Planetary Materials

Ed. by Baker, Don / Xu, Hongwu / Swainson, Ian


IMPACT FACTOR 2018: 2.631

CiteScore 2018: 2.55

SCImago Journal Rank (SJR) 2018: 1.355
Source Normalized Impact per Paper (SNIP) 2018: 1.103

Online
ISSN
1945-3027
See all formats and pricing
More options …
Volume 97, Issue 10

Issues

The sulfur speciation in S-bearing minerals: New constraints by a combination of electron microprobe analysis and DFT calculations with special reference to sodalite-group minerals

Kai Hettmann
  • Corresponding author
  • Fachbereich Geowissenschaften, Eberhard-Karls Universität Tübingen, Wilhelmstrasse 56, 72072 Tubigen, Germany
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Thomas Wenzel
  • Fachbereich Geowissenschaften, Eberhard-Karls Universität Tübingen, Wilhelmstrasse 56, 72072 Tubigen, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Michael Marks
  • Fachbereich Geowissenschaften, Eberhard-Karls Universität Tübingen, Wilhelmstrasse 56, 72072 Tubigen, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Gregor Markl
  • Fachbereich Geowissenschaften, Eberhard-Karls Universität Tübingen, Wilhelmstrasse 56, 72072 Tubigen, Germany
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2015-04-02 | DOI: https://doi.org/10.2138/am.2012.4031

Abstract

In this work, we present an improved method for the semi-quantitative determination of sulfur species in S-bearing minerals by electron microprobe analysis. For calibration, we analyzed several sulfate and sulfide standard minerals such as baryte, celestine, chalcopyrite, and pyrite, and correlated the results with theoretical calculations retrieved from density functional theory (DFT). We applied this method to natural sodalite-group minerals from various localities. In addition, we applied the more common Raman spectroscopy to some samples and show that this method cannot be applied to sodalite-group minerals to determine their sulfur speciation. We show that even though sodalite-group minerals have a complex crystal structure and are sensitive to the electron beam, electron microprobe analysis is a reliable tool for the analysis of their sulfur speciation. The natural sodalite-group minerals show systematic variations in sulfur speciation. These variations can be correlated with the independently determined oxidation state of the parental magmas thus making S-bearing sodalitegroup minerals good redox proxies, although we show that the electron microprobe analysis of the sulfur speciation is matrix-dependent, and the sulfur speciation itself depends on crystal chemistry and structure, and not only on fO₂.

Keywords : Sulfur speciation; igneous; sodalite; oxygen fugacity; electron microprobe; Raman spectroscopy; density functional theory

About the article

Received: 2011-10-24

Accepted: 2012-05-20

Published Online: 2015-04-02

Published in Print: 2012-10-01


Citation Information: American Mineralogist, Volume 97, Issue 10, Pages 1653–1661, ISSN (Online) 1945-3027, ISSN (Print) 0003-004X, DOI: https://doi.org/10.2138/am.2012.4031.

Export Citation

© 2015 by Walter de Gruyter Berlin/Boston.Get Permission

Comments (0)

Please log in or register to comment.
Log in