An internally-consistent database for oxygen isotope fractionation between minerals

The knowledge of the fractionation behaviour between phases in isotopic equilibrium and its evolution with temperature is fundamental to assist the petrological interpretation of measured oxygen isotope compositions. We report a comprehensive and updated internally consistent database for oxygen isotope fractionation. Internal consistency is of particular importance for applications of oxygen isotope fractionation that consider mineral assemblages rather than individual mineral couples. The database DBOxygen is constructed from a large dataset of published experimental, semi-empirical and natural data, which were weighted according to type. It includes fractionation factors for 153 major and accessory mineral phases and a pure H2O fluid phase in the temperature range of 0 – 900 °C, with application recommended for temperatures of 200 – 900 °C. Multiple primary data for each mineral couple were discretized and fitted to a model fractionation function. Consistency between the models for each mineral couple was achieved by simultaneous least square regression. Minimum absolute uncertainties based on the spread of the available data were calculated for each fractionation factor using a Monte Carlo sampling technique. The accuracy of the derived database is assessed by comparisons with previous oxygen isotope fractionation calculations based on selected mineral/mineral couples. This database provides an updated internally consistent tool for geochemical modelling based on a large set of primary data and including uncertainties. For an effective use of the database for thermometry and uncertainty calculation we provide a MATLAB©-based software ThermoOx. The new database supports isotopic modelling in a thermodynamic framework to predict the evolution of δ18O in minerals during metamorphism.