Structural aspects of mullite-type NaAl9O14 studied by 27Al and 23Na solid-state MAS and DOR NMR techniques

Literature Information

Publication Date 2001-05-14
DOI 10.1039/B101513N
Impact Factor 3.676
Authors

K. J. D. MacKenzie, M. E. Smith, M. Schmücker, H. Schneider, P. Angerer, Z. Gan, T. Anupõld, A. Reinhold, A. Samoson


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Abstract

23 Na and 27Al MAS and DOR NMR spectra are reported for the mullite-type crystalline compound NaAl9O14 and its amorphous precursor using a range of applied magnetic fields (8.45–16.9 T). The crystalline compound is shown by 27Al NMR to contain aluminium in one octahedral and two tetrahedral sites, a distribution consistent with expectations based on a recent Rietveld structure determination. By contrast, two approximately equally populated non-identical Na sites can be distinguished by 23Na NMR. Spectral simulation indicates these sites to be of slightly different distortion but of similar isotropic chemical shift. This result is not consistent with the average Pbam structure deduced from Rietveld X-ray analysis, in which the two possible Na sites are symmetrically equivalent. These measurements illustrate the ability of NMR techniques to distinguish small variations in atomic environment which are not resolved in the averaged X-ray structure.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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