Isotope fractionation parameters for sulfur have been calculated using first-principles methods based on density-functional perturbation theory for sphalerite, galena, alabandite, greenockite and cinnabar in the temperature range of 0–1000°C. For comparison, the 103 lnα value between sphalerite and galena, which appears to be well determined, is also calculated, and a good agreement between this calculation and other results is found. The calculations show that the order of heavy isotope enrichment is sphalerite > cinnabar > greenockite > alabandite > galena. The reduced partition function ratios of 33S/32S, 36S/32S in the temperature range of 0–1000°C are also calculated, and there exists a fixed proportion relation between sulfur isotope 32S, 33S, 34S and 36S in the calculated five sulfides, which can be expressed as δ34S = 1:940 δ33S and δ36S = 1.891 δ34S, in agreement with previously published relationships.

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