The isotope fractionation β-factors have been determined for hydroxyapatite, fluorapatite, and carbon–apatite upon 18O/16O, 13C/12C, and 44Ca/40Ca substitutions depending on the temperature. Calculations were performed based on density functional theory (DFT). The results are expressed in terms of cubic polynomials against x = 106/T(K)2 and can be utilized as geothermometers if combined with β-factors of the coexisting phases. The new values of β-factors completely supersede the conventional semi-empirical (estimated by the method of increments) calibrations of isotopic equilibria involving apatite.
Scopus subject areas
- Earth and Planetary Sciences (miscellaneous)
- Earth and Planetary Sciences(all)