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XRD of Cuttings of the KTB Main Hole HB1h

The qualitative and quantitative phase analyses were performed in the KTB field laboratory by x-ray powder diffraction using SIEMENS D 500 diffractometer. During early stages of the KTB project a new method for quantitative phase analysis was developed (see references below). The method is based on the comparison of the diffraction spectrum of the unknown sample with those of pure minerals. The powder diffraction data of the minerals are stored in a database built up of 250 natural minerals separated from various types of igneous and metamorphic rocks. The complete analyses (radiation: Cu K alpha, lambda: 1,5405Å, stepwidth: 0,01°, counting time 2 sec/step, angle 2-80°) was carried out automatically including computations. The results of this quantitative phase analysis were used e.g. to check thin section petrography (and vice versa) and to construct a \"mineralogical rock composition log\".

Vibration spectroscopy, X-ray diffraction, scanning electron microscopy and computational simulation data related to the growth of Li-carbonate crystals in different solutions

Data collected as part of a research study examining the growth of lithium carbonate (mineral name: zabuyelite, chemical formula: Li2CO3) from aqueous solution in the presence of inorganic additives. Ion-pair interactions within the solutions were examined using Raman spectroscopy, whereas the interactions between precipitated crystals and aqueous solution was tested using attenuated total reflectance infrared spectroscopy. In addition, computational simulations were used to study ion pairing in solution (PHREEQC) and adsorption to crystal surfaces (VASP). Precipitates from the experiments were characterised using Raman spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) and X-ray diffraction (XRD). Images of the precipitates were obtained using scanning electron microscopy (SEM). For details of the set up for each instrument and specific parameters for the computational simulations, please see the linked publication.

Hydrochemistry and stable oxygen (δ18O) and hydrogen (δ2H) isotopic composition of surface water and ground water and mineralogy, in the Pra Basin (Ghana) West Africa

The crystalline aquifer in Ghana’s Pra Basin provides water for over 4 million people as many rivers are polluted by artisanal mining. The aim of the data collection was to understand the origin, quality and chemical evolution of surface water and ground water in order to improve the sustainable management of the resource. Here, we present data on major ions, trace metals, stable oxygen (δ18O) and hydrogen (δ2H) isotope ratios of surface water and ground water and mineralogical composition of rock outcrops from the Pra Basin in Ghana. The field campaign took place in March 2020 (water sampling) and August 2021 (outcrop sampling). A total of 34 surface water and 56 ground water samples were collected from rivers, public boreholes (depth >30 m) and hand-dug wells (depth < 10 m), respectively. The water samples were analysed for cations and trace metals using the Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES). The anions were analysed using the Ion Chromatography (IC). For the stable oxygen (δ18O) and hydrogen (δ2H) isotope ratios, a Picarro L-2140i Ringdown Spectrometer was used. The bulk elemental composition of the rock samples was analysed by X-ray fluorescence (XRF). The mineralogic composition was determined by X-ray diffraction (XRD) while the Zeiss Axiophot petrographic microscope was used for the petrographic thin section analysis. The data generated from all measurements are provided in a .zip folder consisting of four subfolders. Each folder contains Excel files discussed in the file inventory section.

XRD analyses on cuttings samples from IODP Expeditions 338 and 348 (Nankai Trough accretionary prism)

This data publication uses XRD bulk rock analyses carried out on cuttings aboard D/V Chikyu during the International Ocean Discovery Program (IODP) Expeditions 338 and 348 of the Nankai Trough Seismogenic Zone Experiment (NanTroSEIZE) project (Strasser et al, 2014, Tobin et al., 2015). More data on clay minerals in the C0002F and C0002P holes are published by Underwood and Song (2016a and 2016b), and Underwood (2017). These data are supplementary material for Schleicher and Jurado (2019).XRD data of the clay size fraction were analyzed at the University of Michigan, USA, and the GFZ Potsdam, Germany. All XRD analyses of the random powder and texture (oriented) preparation followed the analytical methods described in Moore and Reynolds (1997). Oriented clay size samples were measured under air-dried and glycolated conditions, the latter treatment caused interlayer expansion of swelling clays, allowing the recognition of discrete smectite and mixed-layer smectitic phases. In order to compare the clay mineral content, and the mineral amount relative to the adjacent material, exactly 45 μg of the material was mixed with 1.5 ml deionized water and dropped on a round glass slide (diameter 32 mm). All air-dried samples were measured at a relative humidity (RH) of ~30%, and afterward stored in a desiccator filled with ethylene glycol, in order to investigate the final swelling stage of the smectitic phases.The data are provided as tab delimited table (2019-002_Schleicher-Jurado_XRD-data.txt, see also Table 1 in Schleicher and Jurado, 2019) with the following columns:- Hole: name of the C0002 subhole- Depth (mbsf): depth in meter below surface (mbsf)- Sample (SMW): sample number SMW (solid cuttings taken from drilling mud)- Smectite (int./cps): intensity of smectite in counts per second (cps)- Illite (int./cps): intensity of smectite in counts per second (cps)In addition, the original XRD measurements are provided in raw and text formats (2019-002_Schleicher-Jurado_original-XRD-measurements.zip). All science data from these expeditions are also accesible via the Database of the science data acquired by International Ocean Discovery Program and Integrated Ocean Drilling Program expeditions of D/V Chikyu (http://sio7.jamstec.go.jp/).

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).

Geochemistry and age model of sediment core BDP96-1 (BDP-2-A)

Within the framework of the Baikal Drilling Project (BDP), a 192 m long sediment core (BDP-96-1) was recovered from the Academician Ridge, a submerged topographic high between the North and Central Basins of Lake Baikal. Sedimentological, clay mineralogical and geochemical investigations were carried out on the core interval between 90 and 124 m depth, corresponding to ca. 2.4–3.4 Ma. The aim was to reconstruct the climatic and tectonic history of the continental region during the intensification of Northern Hemisphere glaciation in Late Pliocene time. A major climate change occurred in the Lake Baikal area at about 2.65 Ma. Enhanced physical weathering in the catchment, mirrored in the illite to smectite ratio, and temporarily reduced bioproduction in the lake, reflected by the diatom abundance, evidence a change towards a colder and more arid climate, probably associated with an intensification of the Siberian High.

Clay mineralogy and sedimentology of coring Site BDP-1-B (BDP93-2)

Lake Baikal, in south-central Siberia, has been the focus of an international effort (the Baikal Drilling Project; BDP) to obtain continuous long cores (upwards of 100 m) from this unique rift-valley lake and to interpret the paleoclimatic history from various proxy data. As part of this effort, the clay minerals were examined by two research teams. A consistent clay-mineral assemblage, containing illite, interstratified illite-smectite, chlorite, and kaolinite as the major minerals, characterizes much of the modern sediments. The relative abundance of these minerals changes with depth in both short piston cores from various parts of the lake and in 100-m-long cores taken from the distal toe of the Selenga Delta (BDP-93).

XRD of Cuttings of the KTB Pilot Hole VB1b

The qualitative and quantitative phase analyses were performed in the KTB field laboratory by x-ray powder diffraction using SIEMENS D 500 diffractometer. During early stages of the KTB project a new method for quantitative phase analysis was developed (see references below). The method is based on the comparison of the diffraction spectrum of the unknown sample with those of pure minerals. The powder diffraction data of the minerals are stored in a database built up of 250 natural minerals separated from various types of igneous and metamorphic rocks. The complete analyses (radiation: Cu K alpha, lambda: 1,5405Å, stepwidth: 0,01°, counting time 2 sec/step, angle 2-80°) was carried out automatically including computations. The results of this quantitative phase analysis were used e.g. to check thin section petrography (and vice versa) and to construct a \\\"mineralogical rock composition log\\\".

XRD of Cores of the KTB Pilot Hole VB1

The qualitative and quantitative phase analyses were performed in the KTB field laboratory by x-ray powder diffraction using SIEMENS D 500 diffractometer. During early stages of the KTB project a new method for quantitative phase analysis was developed (see references below). The method is based on the comparison of the diffraction spectrum of the unknown sample with those of pure minerals. The powder diffraction data of the minerals are stored in a database built up of 250 natural minerals separated from various types of igneous and metamorphic rocks. The complete analyses (radiation: Cu K alpha, lambda: 1,5405Å, stepwidth: 0,01°, counting time 2 sec/step, angle 2-80°) was carried out automatically including computations. The results of this quantitative phase analysis were used e.g. to check thin section petrography (and vice versa) and to construct a \"mineralogical rock composition log\".

XRD of Cuttings of the KTB Pilot Hole HB1a

The qualitative and quantitative phase analyses were performed in the KTB field laboratory by x-ray powder diffraction using SIEMENS D 500 diffractometer. During early stages of the KTB project a new method for quantitative phase analysis was developed (see references below). The method is based on the comparison of the diffraction spectrum of the unknown sample with those of pure minerals. The powder diffraction data of the minerals are stored in a database built up of 250 natural minerals separated from various types of igneous and metamorphic rocks. The complete analyses (radiation: Cu K alpha, lambda: 1,5405Å, stepwidth: 0,01°, counting time 2 sec/step, angle 2-80°) was carried out automatically including computations. The results of this quantitative phase analysis were used e.g. to check thin section petrography (and vice versa) and to construct a \"mineralogical rock composition log\".

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