Electronic structure of thiospinel minerals: results from MO calculations.

D. J. Vaughan, J. A. Tossell

Research output: Contribution to journalArticlepeer-review


Molecular orbital calculations, which use the SCF-Xalpha scattered-wave cluster method, modelled the electronic structures of three sulphides. These minerals are linnaeite (Co3S4), carrollite (CuCo2S4), and greigite (Fe3S4) . These molecular orbital models seem to explain their conductivity, and Pauli paramagnetism. -K.A.R.

Original languageEnglish
Pages (from-to)1250-1253
Number of pages4
JournalAmerican Mineralogist
Issue number11-12
Publication statusPublished - 1981


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