journal article·2021-05-11

The Elusive Structure of Magadiite, Solved by 3D Electron Diffraction and Model Building

Yaşar Krysiak, Marcel Maslyk, Bruna Nádia Silva, Sergi Plana-Ruiz, Hipassia M. Moura, Erica O. Munsignatti, Viviane S. Vaiss, Ute Kolb, Wolfgang Tremel, Lukáš Palatinus, Alexandre Amaral Leitão, Bernd Marler, Heloise O. Pastore

Chemistry of Materials· Volume 33· Issue 9
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Abstract

In addition to a great swelling ability, layered silicates also allow the functionalization of their interlayer region to form various robust green materials that are used as CO2 adsorbents, drug carriers, or catalysts. Here, the unique magadiite structure, which has resisted elucidation despite many attempts and applications the material offers, is finally described. A material-specific strategy allowed the use of 3D electron diffraction which led to the success of deciphering the atomic structure. In order to enable an ab initio structure solution of the electron beam sensitive material, a sodium-free dehydrated form of magadiite was synthetically isolated, and, from that, it was subsequently possible to derive a structure model for the sodium form of magadiite, later successfully refined against powder X-ray diffraction data. Furthermore, a geometry optimization and simulations of spectroscopic data with DFT methods confirm the obtained crystal structure of sodium magadiite. These results finally prompted a detailed description of the layers and of the chemically active interlayer region and provide a huge impact toward the design of new and more efficient materials based on functionalized magadiite and related structures.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Zeolite Catalysis and Synthesis · Crystal Structures and Properties · Layered Double Hydroxides Synthesis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute of Inorganic Chemistry and Analytical Chemistry, Johannes Gutenberg University, Jakob-Welder-Weg 11, D 55128 Mainz, Germany

Department of Structure Analysis, Institute of Physics, Czech Academy of Sciences, Cukrovarnická 10/112, CZ-17000 Prague, Czech Republic

Group of Physical Chemistry of Solids and Interfaces, Department of Chemistry, Universidade Federal de Juiz de Fora, Juiz de Fora, MG CEP-36036-900, Brazil

Department of Materials and Geoscience, Technische Universität Darmstadt, Petersenstrasse 23, D-64287 Darmstadt, Germany

LENS, MIND/IN2UB, Engineer department: Electronics section, Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Catalonia, Spain

Micro and Mesoporous Molecular Sieves Group, Institute of Chemistry, University of Campinas, Campinas, SP 13083-970, Brazil

Departure of Geology, Mineralogy and Geophysics, Ruhr University Bochum, Universitätsstr. 150, D 44801 Bochum, Germany

Funding

Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais · Grantov? Agentura Cesk? Republiky · Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico · Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo · Stipendienstiftung Rheinland-Pfalz · Forschung und Technologietransfer Universit?t Mainz

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