Pressure-induced amorphization ofCuFeS2studied byFe57<

New data on equilibrium iron isotope fractionation among sulfides: Constraints on mechanisms of sulfide formation in hydrothermal and igneous systems

“…b-Factors for chalcopyrite (CuFeS 2 ) Kobayashi et al (2007) measured the 57 Fe PDOS for chalcopyrite in an INRXS synchrotron radiation experiment. They also calculated the 57 Fe PDOS using the DFT approach.…”

“…Calculated fractionation factors were based on recent data on inelastic nuclear resonant X-ray scattering (INRXS) in chalcopyrite from synchrotron radiation experiments (Kobayashi et al, 2007), and Mö ssbauer spectroscopy data for mackinawite (Bertaut et al, 1965). Based on these new data, trends in equilibrium Fe isotope fractionation factors for sulfides are discussed.…”

“…b-Factors for chalcopyrite are calculated from experimental and theoretical partial phonon densities of state states (Kobayashi et al, 2007). The Fe b-factors for mackinawite are calculated from Mössbauer spectroscopy data (Bertaut et al, 1965).…”

Pressure‐induced structural phase transitions in materials and earth sciences

“…These studies have been triggered by the fact that a chalcopyrite structure is predicted for the potential superhard boron-carbonitride (BC 2 N) [196]. The new studies are focused not only in the nitrides but also in compounds like CdGeP 2 [197] and CuFeS 2 [198]. Static and dynamic structural properties of CuFeS 2 under high pressure have been investigated by X-ray diffraction and 57 Fe nuclear resonant inelastic scattering.…”

Response to the comment by M. Blanchard, F. Poitrasson, M. Méheut, M. Lazzeri, F. Mauri, E. Balan on “New data on equilibrium iron isotope fractionation among sulfides: Constraints on mechanisms of sulfide formation in hydrothermal and igneous systems” published in Geochim. Cosmochim. Acta 75 (2011) 1957–1974

“…(3) using the 34 S b-factors for sphalerite and galena from Blanchard et al (2009). In the cases of the fractionation curves involving chalcopyrite, we used the 34 S b-factor for chalcopyrite from Polyakov and Soultanov (2011) who calculated it based on the DFT-based S phonon density of states (PDOS) from Kobayashi et al (2007). Fractionation curves calculated using the 34 S bfactors for sphalerite and galena from Elcombe and Hulston (1975) are presented for comparisons.…”