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.

Supplement to: King, Helen E; Salisbury, A; Huijsmans, J; Dzade, Nelson Y; Plümper, Oliver (2019): Influence of Inorganic Solution Components on Lithium Carbonate Crystal Growth. Crystal Growth & Design, 19(12), 6994-7006

Related Identifier
Related Identifier
Metadata Access
Creator King, Helen E (ORCID: 0000-0002-1825-782X); Dzade, Nelson Y ORCID logo; Plümper, Oliver ORCID logo
Publisher PANGAEA
Publication Year 2019
Rights Creative Commons Attribution 4.0 International;
OpenAccess true
Resource Type Supplementary Dataset; Dataset
Format text/tab-separated-values
Size 729 data points
Discipline Earth System Research
Spatial Coverage (14.800 LON, 54.000 LAT)