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R-Package – Supplement to: Constraints on the role of marine authigenic clay formation in determining seawater lithium isotope composition

This publication contains the R-Package used to solve the calculations performed in Läuchli et al., (2025). The package contains a README.txt file, as well as six scripts stored in the "scripts" file including: (1) "main_script.R" running the complete Monte-Carlo simulation, (2) "calling_data.R" calling the data, (3) "isotope_signature.R" extracting the isotope signature of marine authigenic clays using the dataset presented in Läuchli et al., (submitted), (4) "global_fluxes_uncertainties_rivers.R" simulating uncertainties associated with single-data point river on global estimations of the lithium flux from discharged by rivers to seawater, (5) "global_fluxes.R" solving the ocean lithium isotope budget, and The data files necessary to solve the R-Package are provided as .csv and stored in the "csv" file. Output files are stored in the "export" file. The scripts are written for the R Software. The data were acquired as part of the German Science Foundation (DFG) priority program SPP-1803 “EarthShape: Earth Surface Shaping by Biota” initiated and lead by Friedhelm von Blanckenburg and Todd Ehlers. The GeoB cores samples were provided by the MARUM Research Center (Bremen). The 22SL Gravity Core was stored and supplied by the Bundesanstalt für Geowissenschaften und Rohstoffe (BGR, Hannover). -------------------------------------------------- Packages: The R packages devtools, dplyr, compositions, tidyr, EnvStats, gdata, and gmp were used for calculations. The R-Package was managed using packrat: compositions (Boogaart et al., 2022; License: GPL >= 2) devtools (Wickham et al., 2022; MIT License) dplyr (Wickham et al., 2022; MIT License) EnvStats (Millard, 2022; License: GPL >= 3) gdata (Warnes et al., 2022; License: GPL-2) gmp (Lucas et al., 2023; License: GPL >= 2) packrat (Ushey et al., 2022; License: GPL-2) tidyr (Wickham and Girlich, 2022; MIT License)

Model scripts to evaluate the role of diagenesis in setting chert oxygen isotope ratios

The ratio of 18O to 16O in cherts and other chemical sediments has increased by about 15‰ over geological time, but the cause of this increase is debated. Here, we provide a 1D sediment-column model designed to investigate the role of diagenesis, and specifically the heat flow through marine sediments, in setting the chert oxygen isotope ratios. The model simulates the transformation of amorphous silica (opal-A) to crystalline quartz via an intermediate phase by using a silicon mass balance that is driven by the kinetics and thermodynamics of silica phase dissolution and (re)precipitation. The model demonstrates that heat flow through marine sediments influences the rate, and therefore depths, temperatures, and oxygen isotope compositions, at which cherts form. The implication is that because global heat flow from the solid Earth has decreased through geological time, heat flow is an important contributing factor to the long-term trend in chert oxygen isotope composition. The model is provided as a set of Matlab scripts (".m" files) and assorted input datasets provided as standard plain text files. The model is described in full in the manuscript "Chert oxygen isotope ratios are driven by Earth's thermal evolution" by Michael Tatzel, Patrick J. Frings, Marcus Oelze, Daniel Herwartz, Nils K. Lünsdorf, and Michael Wiedenbeck, and in the online Supporting Information associated with the manuscript. Once downloaded and unzipped, the files should be added to the local Matlab search path. The parameters of interest can be changed in the first few lines of 'chertKineticModel.m'. No other files need to be opened or modified. These files have been tested in Matlab R2020a running on Mac OS X 12.2.1 and in Matlab R2022b on Mac OS X 12.6.1.

Geochemical, modelled, and compiled (literature-based) data used to constrain the role of marine authigenic clay formation in setting the lithium isotope composition of seawater

This data publication is supplementary to a study on the effect of the formation of cation-rich authigenic aluminosilicate clays during the early diagenesis of detrital sediments on the seawater lithium isotope composition by Läuchli et al., (2025). The dataset contains elemental ratios and lithium isotope ratios from (1) river sediments sampled in March 2019 the vicinity of the coastline, (2) marine surface sediments from Multlicorer sampling device from the R/V Sonne Cruise SO156 and the R/V Sonne Cruise SO102 and (3) marine samples from the gravity core sites GeoB 7139-2 (R/V Sonne Cruise SO156), GeoB 3304-5 (R/V Sonne Cruise SO102) and 22SL (Sonne Cruise SO161-5). The dataset is provided here as a single .xlsx file containing one data sheet. Metadata including International Generic Sample Numbers (IGSNs) are provided for each sample. The data were acquired as part of the German Science Foundation (DFG) priority program SPP-1803 “EarthShape: Earth Surface Shaping by Biota” initiated and lead by Friedhelm von Blanckenburg and Todd Ehlers. The GeoB cores samples were provided by the MARUM Research Center (Bremen). The 22SL Gravity Core was stored and supplied by the Bundesanstalt für Geowissenschaften und Rohstoffe (BGR, Hannover).

Quantitative mineralogy and bulk rock geochemistry of the Kupferschiefer system, Saale subasin, Eastern Germany

The Southern Permian Basin in Central Europe (in Germany and Poland) hosts several sediment-hosted Cu deposits (see Borg et al., 2012). The Cu- and Zn-Pb sulfide mineralization is preserved in the coarse-grained continental siliciclastics of the uppermost Rotliegend (S1), organic matter- and carbonate-rich marine mudstones of the Kupferschiefer (T1) and dolomitic Zechstein Limestone (Ca1). In these datasets, we provide quantitative mineralogical and geochemical data of drill core samples from the Saale Basin in East Germany. The samples include the uppermost Rotliegend sandstone (S1), Kupferschiefer (T1) and lowermost Zechstein Limestone (Ca1), referred as the Kupferschiefer system, from three drill cores (Sangerhausen, Allstedt and Wallendorf). This data publication includes quantitative mineralogy (X-ray diffraction), bulk rock major, minor and trace element geochemistry (X-ray fluorescence and inductively coupled mass spectrometry) and total organic carbon (elemental analyzer).

Carbon and oxygen isotope in situ analysis of calcite using secondary ion mass spectrometry in the Permian Kupferschiefer system, Saale subbasin, Eastern Germany

The Kupferschiefer districts in Central Europe contain some of the world’s highest-grade sediment-hosted stratiform Cu (SSC) deposits (see Borg et al., 2012). The high-grade sulfide mineralization in the organic matter-rich marine mudstones of the Kupferschiefer (T1), and also in the underlying continental sandstones of the uppermost Rotliegend (S1) and overlying Zechstein Limestone (Ca1), in the Saale subbasin (Eastern Germany) are dominantly formed as a replacement of calcite cement (Mohammedyasin et al., 2023). We provide carbonate major element chemistry, carbon isotope composition of organic matter, and calcite carbon and oxygen isotope microanalysis datasets of drill core samples from the Saale subbasin in Eastern Germany. The samples include the uppermost Rotliegend sandstone (S1), Kupferschiefer (T1) mudstones and lowermost Zechstein Limestone (Ca1), referred as the Kupferschiefer system, from three drill cores (Sangerhausen, Allstedt and Wallendorf). For further details, see Mohammedyasin et al. (Chemical Geology, when available).

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