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.

中文翻译：

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矿物间氧同位素分馏的内部一致数据库

了解同位素平衡中各相之间的分馏行为及其随温度的演变，对于帮助对测得的氧同位素组成进行岩石学解释至关重要。我们报告了一个全面且更新的内部一致的氧同位素分馏数据库。内部一致性对于考虑矿物组合而不是单个矿物对的氧同位素分馏应用尤为重要。数据库 DBoxygen 是根据已发布的实验、半经验和自然数据的大型数据集构建的，这些数据根据类型进行加权。它包括 0 – 900 °C 温度范围内 153 种主要和副矿物相以及纯 H2O 流体相的分馏系数，建议在 200 – 900 °C 的温度下应用。每个矿物对的多个原始数据被离散化并拟合到模型分馏函数中。每个矿物对的模型之间的一致性通过同时最小二乘回归实现。使用蒙特卡罗采样技术为每个分馏因子计算基于可用数据分布的最小绝对不确定性。派生数据库的准确性是通过与以前基于选定矿物/矿物对的氧同位素分馏计算进行比较来评估的。该数据库为基于大量原始数据并包括不确定性的地球化学建模提供了更新的内部一致工具。为了有效地使用数据库进行温度测量和不确定性计算，我们提供了基于 MATLAB© 的软件 ThermoOx。