The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study

Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T...
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Gespeichert in:

Autor*in:	Baur, Werner H. [verfasserIn] Fischer, Reinhard X.

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2023

Schlagwörter:	Zeolites Framework structures Flexibility T–O–T angles

Anmerkung:	© The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Übergeordnetes Werk:	Enthalten in: Mineralogy and petrology - Wien [u.a.] : Springer, 1948, 117(2023), 2 vom: 20. März, Seite 165-179
Übergeordnetes Werk:	volume:117 ; year:2023 ; number:2 ; day:20 ; month:03 ; pages:165-179

Links:	Volltext

DOI / URN:	10.1007/s00710-023-00813-6

Katalog-ID:	SPR052104362

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245	1	4	\|a The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
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520			\|a Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites.
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allfields	10.1007/s00710-023-00813-6 doi (DE-627)SPR052104362 (SPR)s00710-023-00813-6-e DE-627 ger DE-627 rakwb eng Baur, Werner H. verfasserin aut The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213 Fischer, Reinhard X. aut Enthalten in Mineralogy and petrology Wien [u.a.] : Springer, 1948 117(2023), 2 vom: 20. März, Seite 165-179 (DE-627)254637922 (DE-600)1462900-8 1438-1168 nnns volume:117 year:2023 number:2 day:20 month:03 pages:165-179 https://dx.doi.org/10.1007/s00710-023-00813-6 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_267 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 117 2023 2 20 03 165-179
spelling	10.1007/s00710-023-00813-6 doi (DE-627)SPR052104362 (SPR)s00710-023-00813-6-e DE-627 ger DE-627 rakwb eng Baur, Werner H. verfasserin aut The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213 Fischer, Reinhard X. aut Enthalten in Mineralogy and petrology Wien [u.a.] : Springer, 1948 117(2023), 2 vom: 20. März, Seite 165-179 (DE-627)254637922 (DE-600)1462900-8 1438-1168 nnns volume:117 year:2023 number:2 day:20 month:03 pages:165-179 https://dx.doi.org/10.1007/s00710-023-00813-6 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_267 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 117 2023 2 20 03 165-179
allfields_unstemmed	10.1007/s00710-023-00813-6 doi (DE-627)SPR052104362 (SPR)s00710-023-00813-6-e DE-627 ger DE-627 rakwb eng Baur, Werner H. verfasserin aut The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213 Fischer, Reinhard X. aut Enthalten in Mineralogy and petrology Wien [u.a.] : Springer, 1948 117(2023), 2 vom: 20. März, Seite 165-179 (DE-627)254637922 (DE-600)1462900-8 1438-1168 nnns volume:117 year:2023 number:2 day:20 month:03 pages:165-179 https://dx.doi.org/10.1007/s00710-023-00813-6 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_267 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 117 2023 2 20 03 165-179
allfieldsGer	10.1007/s00710-023-00813-6 doi (DE-627)SPR052104362 (SPR)s00710-023-00813-6-e DE-627 ger DE-627 rakwb eng Baur, Werner H. verfasserin aut The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213 Fischer, Reinhard X. aut Enthalten in Mineralogy and petrology Wien [u.a.] : Springer, 1948 117(2023), 2 vom: 20. März, Seite 165-179 (DE-627)254637922 (DE-600)1462900-8 1438-1168 nnns volume:117 year:2023 number:2 day:20 month:03 pages:165-179 https://dx.doi.org/10.1007/s00710-023-00813-6 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_267 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 117 2023 2 20 03 165-179
allfieldsSound	10.1007/s00710-023-00813-6 doi (DE-627)SPR052104362 (SPR)s00710-023-00813-6-e DE-627 ger DE-627 rakwb eng Baur, Werner H. verfasserin aut The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study 2023 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law. Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213 Fischer, Reinhard X. aut Enthalten in Mineralogy and petrology Wien [u.a.] : Springer, 1948 117(2023), 2 vom: 20. März, Seite 165-179 (DE-627)254637922 (DE-600)1462900-8 1438-1168 nnns volume:117 year:2023 number:2 day:20 month:03 pages:165-179 https://dx.doi.org/10.1007/s00710-023-00813-6 kostenfrei Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_206 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_267 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_647 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 117 2023 2 20 03 165-179
language	English
source	Enthalten in Mineralogy and petrology 117(2023), 2 vom: 20. März, Seite 165-179 volume:117 year:2023 number:2 day:20 month:03 pages:165-179
sourceStr	Enthalten in Mineralogy and petrology 117(2023), 2 vom: 20. März, Seite 165-179 volume:117 year:2023 number:2 day:20 month:03 pages:165-179
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Zeolites Framework structures Flexibility T–O–T angles
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container_title	Mineralogy and petrology
authorswithroles_txt_mv	Baur, Werner H. @@aut@@ Fischer, Reinhard X. @@aut@@
publishDateDaySort_date	2023-03-20T00:00:00Z
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author	Baur, Werner H.
spellingShingle	Baur, Werner H. misc Zeolites misc Framework structures misc Flexibility misc T–O–T angles The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
authorStr	Baur, Werner H.
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topic_title	The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study Zeolites (dpeaa)DE-He213 Framework structures (dpeaa)DE-He213 Flexibility (dpeaa)DE-He213 T–O–T angles (dpeaa)DE-He213
topic	misc Zeolites misc Framework structures misc Flexibility misc T–O–T angles
topic_unstemmed	misc Zeolites misc Framework structures misc Flexibility misc T–O–T angles
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title	The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
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title_full	The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
author_sort	Baur, Werner H.
journal	Mineralogy and petrology
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author_browse	Baur, Werner H. Fischer, Reinhard X.
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author-letter	Baur, Werner H.
doi_str_mv	10.1007/s00710-023-00813-6
title_sort	flexibility of the t–x–t hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
title_auth	The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
abstract	Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
abstractGer	Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
abstract_unstemmed	Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites. © The Author(s) 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
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title_short	The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study
url	https://dx.doi.org/10.1007/s00710-023-00813-6
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doi_str	10.1007/s00710-023-00813-6
up_date	2024-07-04T01:17:35.941Z
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Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Abstract In recent years, a large number of precisely determined crystal structure determinations of zeolites, that is compounds based on open frameworks of coordination tetrahedra, has accumulated. This gives us the opportunity to evaluate them in terms of the flexibility of their bond angles T–X–T which serve as hinges between the coordination tetrahedra in zeolites containing various $ SiO_{4} $, $ AlO_{4} $, $ PO_{4} $ and similarly sized ions. Out of about 7,000 known crystal structure descriptions of zeolites we have selected 1187 which are based on single crystal diffraction studies and have estimated standard deviations of their T–O bond length of 0.01 Å or less. The mean Si–O–Si angle in zeolitic frameworks with T-sites fully occupied by one type of T atoms is 152.9° and these angles range from 127.0° to 180°, the mean for Al–O–Si is 141.9°, ranging from 124.8° to 179.3°. Straight angles Si–O–Si do occur in some zeolites.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Zeolites</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Framework structures</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Flexibility</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">T–O–T angles</subfield><subfield code="7">(dpeaa)DE-He213</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Fischer, Reinhard X.</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Mineralogy and petrology</subfield><subfield code="d">Wien [u.a.] : Springer, 1948</subfield><subfield code="g">117(2023), 2 vom: 20. 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The flexibility of the T–X–T hinges between the coordination tetrahedra in various zeolitic frameworks: an empirical structural study

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