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Analytical data from stepped thermal analysis of agricultural soils in Saxony

The continuous agricultural soil monitoring program (BDF) by the Saxon State Office for Environment, Agriculture, and Geology (LfULG) is operational since 1995, collecting and analysing samples periodically from 60 monitoring sites across Saxony, Germany. Stepped thermal analysis allows for the fast and cost-effective determination of different carbon fractions of ground soil samples. This dataset reports the analysis of 902 archive samples from the Soil Monitoring Program of the State Office for Environment, Agriculture, and Geology (LfULG) collected between 1995 and 2023, and 462 samples collected during a sampling campaign in September 2023. We report the thermal soil carbon fractions TOC400, ROC (ROC600), and TIC900 measured in air-dried and ground samples according to DIN19539 / DIN EN 17505 using an Elementar soliTOC cube. This dataset is part of a mid-infrared soil spectral library for agricultural soils in Saxony, Germany.

Soil physical data of agricultural soils in Saxony

The continuous agricultural soil monitoring program (BDF) by the Saxon State Office for Environment, Agriculture, and Geology (LfULG) is operational since 1995, collecting and analysing samples periodically from 60 monitoring sites across Saxony, Germany. This dataset contains additional soil physical data for 441 samples collected during a sampling campaign in September 2023. Samples were collected from four sites across Saxony using different sampling devices (split spoon push core, steel syringe, sampling spade, soil rings) to evaluate their suitability for true-to-volume sampling. Total bulk density, fine soil bulk density and the fine soil stock were calculated using both air-dry and oven-dry weights. Particle size distribution was determined by wet sieving and the integral suspension pressure method (ISP+) using the Meter Pario+ system. This dataset is part of a mid-infrared soil spectral library for agricultural soils in Saxony, Germany.

SaxSSL: A mid-infrared Soil Spectral Library for the agricultural soils of Saxony, Germany

This dataset presents a mid-Infrared Diffuse Reflectance Infrared Fourier Transform Spectroscopy (mid-DRIFTS) Soil Spectral Library (SSL) for agricultural soils in Saxony, Germany. The SSL was developed using archive soil samples from the Soil Monitoring Program of the State Office for Environment, Agriculture, and Geology (LfULG). A total of 123 physicochemical soil properties (with varying availability) are included in the presented dataset, covering soil organic carbon, total nitrogen, various total and extractable elemental contents, soil pH, cation exchange capacity, particle size distribution, bulk density and soil water retention. In addition to archive samples, the dataset includes supplementary soil samples collected during an intensive sampling campaign in September 2023, which also incorporates soil physical properties data. Mid-IR spectra were recorded from 7500 cm-1 to 400 cm⁻¹, using a Bruker Alpha II DRIFT. All samples were (re-) analysed using stepped thermal analysis according to DIN 19539 / DIN EN17505. The presented SSL was built as part of the LfULG project FuE 42-Z771/2 and constitutes the foundation for integrating quantitative mid-DRIFTS as an analytical tool in Saxony's agricultural soil monitoring program.

Diffuse reflectance spectra of agricultural soils in Saxony

The continuous agricultural soil monitoring program (BDF) by the Saxon State Office for Environment, Agriculture, and Geology (LfULG) is operational since 1995, collecting and analysing samples periodically from 60 monitoring sites across Saxony, Germany. Mid-Infrared Diffuse Reflectance Infrared Fourier Transform Spectroscopy (mid-DRIFTS) is a promising analysis technique that allows for the determination of several soil properties simultaneously using chemometric models. For the calibration of such models, a Soil Spectral Library (SSL) including both soil spectra and analytical reference data is required. This dataset consists of soil spectra of 902 archive samples from the Soil Monitoring Program of the State Office for Environment, Agriculture, and Geology (LfULG), which were collected between 1995 and 2023, as well as soil spectra of 462 samples collected during an intensive sampling campaign in September 2023. Mid-IR spectra were recorded from 7500 cm⁻¹ to 400 cm⁻¹ at a resolution of 1 cm⁻¹ from air-dried and ground fine soil samples, using a Bruker Alpha II DRIFT with 32 device-internal replicate scans and averaging the spectra of four sample replicates. This dataset is part of a mid-infrared soil spectral library for agricultural soils in Saxony, Germany.

Physicochemical soil property data for archive samples of the Saxon agricultural soil monitoring program

The continuous agricultural soil monitoring program (BDF) by the Saxon State Office for Environment, Agriculture, and Geology (LfULG) is operational since 1995, collecting and analysing samples periodically from 60 monitoring sites across Saxony, Germany. This dataset provides physicochemical soil property data for 920 archive samples available from the Saxon soil information system FIS Boden, including soil organic carbon, total nitrogen, various total and extractable elemental contents, soil pH, cation exchange capacity, and particle size distribution. Additional soil physical data (bulk density, soil water retention) have been merged from undisturbed sample data, resulting in a total of 123 variables, though with varying availability. This dataset provides the majority of reference data for the mid-infrared soil spectral library for agricultural soils in Saxony, Germany.

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.

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