Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta
The tetragonal and monoclinic polytypes of tschernichite (the natural counterpart of zeolite beta) from Mt. Adamson (Antarctica) were isolated and studied by single-crystal X-ray diffraction using a diffractometer equipped with a CCD detector. Diffraction patterns were interpreted with the help of t...
Published in: | The Journal of Physical Chemistry B |
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Online Access: | http://hdl.handle.net/11380/304873 https://doi.org/10.1021/jp021222h |
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ftunivmodena:oai:iris.unimore.it:11380/304873 2024-04-14T08:03:56+00:00 Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta A. Alberti G. Cruciani S. Merlino R. Millini S. Quartieri S. Zanardi GALLI, Ermanno VEZZALINI, Maria Giovanna A., Alberti G., Cruciani Galli, Ermanno S., Merlino R., Millini S., Quartieri Vezzalini, Maria Giovanna S., Zanardi 2002 STAMPA http://hdl.handle.net/11380/304873 https://doi.org/10.1021/jp021222h eng eng info:eu-repo/semantics/altIdentifier/wos/WOS:000178273500042 volume:106 issue:39 firstpage:10277 lastpage:10284 journal:JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL http://hdl.handle.net/11380/304873 doi:10.1021/jp021222h info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-0037015655 info:eu-repo/semantics/closedAccess zeolite tschernichite Antarctica single crystal XRD OD theory morphology MDO polytype chemical composition info:eu-repo/semantics/article 2002 ftunivmodena https://doi.org/10.1021/jp021222h 2024-03-21T17:36:31Z The tetragonal and monoclinic polytypes of tschernichite (the natural counterpart of zeolite beta) from Mt. Adamson (Antarctica) were isolated and studied by single-crystal X-ray diffraction using a diffractometer equipped with a CCD detector. Diffraction patterns were interpreted with the help of the OD theory, and synthetic precession images allowed us to overcome ambiguities regarding the symmetry assignment. The two crystalline phases isolated are characterized as two MDO polytypes, tetragonal and monoclinic with different crystal sizes (small and large crystals, respectively), morphologies (single tetragonal dipyramids and radiating hemispherical groups, respectively), and chemistries (high and low Si/Al ratio, respectively). Both refined structures showed regular T-O distances (in the range 1.56-1.68 Angstrom), and extraframework ions spreading over a large number of sites with low occupancy. Many independent sites were identified in both polytypes: in the monoclinic type three sites are occupied by Ca, whereas in the tetragonal three are occupied by Ca and one by Mg. The location and coordination of the site with the highest Ca occupancy in the monoclinic polytype were satisfactorily reproduced by potential energy calculations. Article in Journal/Newspaper Antarc* Antarctica Archivio della ricerca dell'Università di Modena e Reggio Emilia (Unimore: IRIS) Adamson ENVELOPE(163.000,163.000,-73.917,-73.917) The Journal of Physical Chemistry B 106 39 10277 10284 |
institution |
Open Polar |
collection |
Archivio della ricerca dell'Università di Modena e Reggio Emilia (Unimore: IRIS) |
op_collection_id |
ftunivmodena |
language |
English |
topic |
zeolite tschernichite Antarctica single crystal XRD OD theory morphology MDO polytype chemical composition |
spellingShingle |
zeolite tschernichite Antarctica single crystal XRD OD theory morphology MDO polytype chemical composition A. Alberti G. Cruciani S. Merlino R. Millini S. Quartieri S. Zanardi GALLI, Ermanno VEZZALINI, Maria Giovanna Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
topic_facet |
zeolite tschernichite Antarctica single crystal XRD OD theory morphology MDO polytype chemical composition |
description |
The tetragonal and monoclinic polytypes of tschernichite (the natural counterpart of zeolite beta) from Mt. Adamson (Antarctica) were isolated and studied by single-crystal X-ray diffraction using a diffractometer equipped with a CCD detector. Diffraction patterns were interpreted with the help of the OD theory, and synthetic precession images allowed us to overcome ambiguities regarding the symmetry assignment. The two crystalline phases isolated are characterized as two MDO polytypes, tetragonal and monoclinic with different crystal sizes (small and large crystals, respectively), morphologies (single tetragonal dipyramids and radiating hemispherical groups, respectively), and chemistries (high and low Si/Al ratio, respectively). Both refined structures showed regular T-O distances (in the range 1.56-1.68 Angstrom), and extraframework ions spreading over a large number of sites with low occupancy. Many independent sites were identified in both polytypes: in the monoclinic type three sites are occupied by Ca, whereas in the tetragonal three are occupied by Ca and one by Mg. The location and coordination of the site with the highest Ca occupancy in the monoclinic polytype were satisfactorily reproduced by potential energy calculations. |
author2 |
A., Alberti G., Cruciani Galli, Ermanno S., Merlino R., Millini S., Quartieri Vezzalini, Maria Giovanna S., Zanardi |
format |
Article in Journal/Newspaper |
author |
A. Alberti G. Cruciani S. Merlino R. Millini S. Quartieri S. Zanardi GALLI, Ermanno VEZZALINI, Maria Giovanna |
author_facet |
A. Alberti G. Cruciani S. Merlino R. Millini S. Quartieri S. Zanardi GALLI, Ermanno VEZZALINI, Maria Giovanna |
author_sort |
A. Alberti |
title |
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
title_short |
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
title_full |
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
title_fullStr |
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
title_full_unstemmed |
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
title_sort |
crystal structure of tetragonal and monoclinic polytypes of tschernichite, the natural counterpart of synthetic zeolite beta |
publishDate |
2002 |
url |
http://hdl.handle.net/11380/304873 https://doi.org/10.1021/jp021222h |
long_lat |
ENVELOPE(163.000,163.000,-73.917,-73.917) |
geographic |
Adamson |
geographic_facet |
Adamson |
genre |
Antarc* Antarctica |
genre_facet |
Antarc* Antarctica |
op_relation |
info:eu-repo/semantics/altIdentifier/wos/WOS:000178273500042 volume:106 issue:39 firstpage:10277 lastpage:10284 journal:JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL http://hdl.handle.net/11380/304873 doi:10.1021/jp021222h info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-0037015655 |
op_rights |
info:eu-repo/semantics/closedAccess |
op_doi |
https://doi.org/10.1021/jp021222h |
container_title |
The Journal of Physical Chemistry B |
container_volume |
106 |
container_issue |
39 |
container_start_page |
10277 |
op_container_end_page |
10284 |
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