Synthesis and crystal structures of decahydro-closo-decaborates of the divalent cations of strontium and manganese
| Autor: | Mark Paskevicius, Bjarne R. S. Hansen, Young-Su Lee, Mathias Jørgensen, Torben R. Jensen |
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| Rok vydání: | 2021 |
| Předmět: |
Metal closo-borates
Materials science Crystal engineering BORANES 02 engineering and technology Electrolyte Crystal structure Crystal structure determination 010402 general chemistry 01 natural sciences Ion Divalent Inorganic Chemistry Materials Chemistry Ionic conductivity Physical and Theoretical Chemistry chemistry.chemical_classification STABILITY Hydrogen bond Powder X-ray diffraction DODECABORATE 021001 nanoscience & nanotechnology Condensed Matter Physics 0104 chemical sciences Electronic Optical and Magnetic Materials Characterization (materials science) Crystallography chemistry Ceramics and Composites Density functional theory METALS 0210 nano-technology |
| Zdroj: | Jørgensen, M, Lee, Y S, Paskevicius, M, Hansen, B R S & Jensen, T R 2021, ' Synthesis and crystal structures of decahydro-closo-decaborates of the divalent cations of strontium and manganese ', Journal of Solid State Chemistry, vol. 298, 122133 . https://doi.org/10.1016/j.jssc.2021.122133 |
| ISSN: | 0022-4596 |
| Popis: | Efficient development of new solid-state electrolytes based on closo-borates, an emerging class of ion conductors, relies on a thorough understanding of these materials, including their crystal structures and derived trends thereof. Here we present the syntheses and crystal structures of the first anhydrous decahydro-closo-decaborates of divalent cations (Sr2+ and Mn2+), expanding the library of available closo-borate compounds. The structures of the two compounds are highly dissimilar, displaying a distorted bcc- or helical anion sublattice, as well as a tetrahedral or trigonal coordination environment of the cation in SrB10H10 and MnB10H10, respectively. Crystal structures of two hydrates of the compounds were also solved, SrB10H10∙4H2O and MnB10H10∙6H2O, and the (di)hydrogen bond network was investigated based on their structures optimized by density functional theory. The characterization of these new compounds, as well as the insight provided by comparing with previously reported closo-borates, are useful for designing new materials with high ionic conductivity or other desirable properties by revealing which compounds are likely to have compatible crystal structures, e.g. for aliovalent substitution. |
| Databáze: | OpenAIRE |
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