Zeolite structure determination from powder diffraction data: applications of the FOCUS method
The FOCUS approach to zeolite structure determination from powder diffraction data has been applied to data from four different zeolitic materials. The solutions of the structures of two aluminophosphate molecular sieves, YUL‐89 (AWO topology) and YUL‐90 (ZON topology), are used to demonstrate routi...
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| Veröffentlicht in: | Journal of applied crystallography 1999-06, Vol.32 (3), p.536-542 |
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| container_title | Journal of applied crystallography |
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| creator | Grosse-Kunstleve, R. W. McCusker, L. B. Baerlocher, Ch |
| description | The FOCUS approach to zeolite structure determination from powder diffraction data has been applied to data from four different zeolitic materials. The solutions of the structures of two aluminophosphate molecular sieves, YUL‐89 (AWO topology) and YUL‐90 (ZON topology), are used to demonstrate routine applications of the procedure. The high‐silica zeolite ZSM‐5 (MFI topology), which has 12 Si atoms (38 framework atoms) in the asymmetric unit, and the gallophosphate cloverite (‐CLO topology), the framework of which is not fully fourfold connected, provide examples of extreme cases, which challenge the limits of the FOCUS algorithm. Taken together, the four examples give an overview of the practical aspects of the FOCUS method and illustrate its potential and its limitations. |
| doi_str_mv | 10.1107/S0021889899003453 |
| format | Article |
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Taken together, the four examples give an overview of the practical aspects of the FOCUS method and illustrate its potential and its limitations.</description><identifier>ISSN: 1600-5767</identifier><identifier>ISSN: 0021-8898</identifier><identifier>EISSN: 1600-5767</identifier><identifier>DOI: 10.1107/S0021889899003453</identifier><identifier>CODEN: JACGAR</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Chemistry ; Condensed matter: structure, mechanical and thermal properties ; Exact sciences and technology ; General and physical chemistry ; Inorganic compounds ; Ion-exchange ; Physics ; Salts ; Single-crystal and powder diffraction ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids ; Surface physical chemistry ; X-ray diffraction and scattering ; Zeolites: preparations and properties</subject><ispartof>Journal of applied crystallography, 1999-06, Vol.32 (3), p.536-542</ispartof><rights>1999 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3597-3fc96bf3946272d5f69ff2b9b33c2a25db4388fdaed779ba1bca64b367bec613</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1107%2FS0021889899003453$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1107%2FS0021889899003453$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,3973,27901,27902,45550,45551</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=1881206$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Grosse-Kunstleve, R. W.</creatorcontrib><creatorcontrib>McCusker, L. B.</creatorcontrib><creatorcontrib>Baerlocher, Ch</creatorcontrib><title>Zeolite structure determination from powder diffraction data: applications of the FOCUS method</title><title>Journal of applied crystallography</title><addtitle>J. Appl. Cryst</addtitle><description>The FOCUS approach to zeolite structure determination from powder diffraction data has been applied to data from four different zeolitic materials. The solutions of the structures of two aluminophosphate molecular sieves, YUL‐89 (AWO topology) and YUL‐90 (ZON topology), are used to demonstrate routine applications of the procedure. The high‐silica zeolite ZSM‐5 (MFI topology), which has 12 Si atoms (38 framework atoms) in the asymmetric unit, and the gallophosphate cloverite (‐CLO topology), the framework of which is not fully fourfold connected, provide examples of extreme cases, which challenge the limits of the FOCUS algorithm. Taken together, the four examples give an overview of the practical aspects of the FOCUS method and illustrate its potential and its limitations.</description><subject>Chemistry</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Inorganic compounds</subject><subject>Ion-exchange</subject><subject>Physics</subject><subject>Salts</subject><subject>Single-crystal and powder diffraction</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><subject>Surface physical chemistry</subject><subject>X-ray diffraction and scattering</subject><subject>Zeolites: preparations and properties</subject><issn>1600-5767</issn><issn>0021-8898</issn><issn>1600-5767</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1999</creationdate><recordtype>article</recordtype><recordid>eNqFkMtKAzEUhgdRsFYfwF0WbkdzmcnFnRRbtUXFVgQXhkwuNDrtDElK7dtbW1HBhatzOHzfD-fPsmMETxGC7GwMIUacCy4EhKQoyU7WQRTCvGSU7f7a97ODGF8hRJRh3Mlenm1T-2RBTGGh0yJYYGyyYebnKvlmDlxoZqBtlsYGYLxzQenN3aikzoFq29rrDRlB40CaWtC_6z2OwcymaWMOsz2n6miPvmY3m_QvJ72rfHQ3uO5djHJNSsFy4rSglSOioJhhUzoqnMOVqAjRWOHSVAXh3BllDWOiUqjSihYVoayymiLSzdA2VocmxmCdbIOfqbCSCMrPfuSfftbOydZpVdSqXj821z7-iJwjDOka41ts6Wu7-j9X3vQeBiNYMrZW863qY7Lv36oKb5Iywkr5dDuQQ0KG7L7PZUE-AG0chao</recordid><startdate>199906</startdate><enddate>199906</enddate><creator>Grosse-Kunstleve, R. 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B. ; Baerlocher, Ch</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3597-3fc96bf3946272d5f69ff2b9b33c2a25db4388fdaed779ba1bca64b367bec613</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1999</creationdate><topic>Chemistry</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Inorganic compounds</topic><topic>Ion-exchange</topic><topic>Physics</topic><topic>Salts</topic><topic>Single-crystal and powder diffraction</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><topic>Surface physical chemistry</topic><topic>X-ray diffraction and scattering</topic><topic>Zeolites: preparations and properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Grosse-Kunstleve, R. W.</creatorcontrib><creatorcontrib>McCusker, L. B.</creatorcontrib><creatorcontrib>Baerlocher, Ch</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Journal of applied crystallography</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Grosse-Kunstleve, R. W.</au><au>McCusker, L. B.</au><au>Baerlocher, Ch</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Zeolite structure determination from powder diffraction data: applications of the FOCUS method</atitle><jtitle>Journal of applied crystallography</jtitle><addtitle>J. Appl. Cryst</addtitle><date>1999-06</date><risdate>1999</risdate><volume>32</volume><issue>3</issue><spage>536</spage><epage>542</epage><pages>536-542</pages><issn>1600-5767</issn><issn>0021-8898</issn><eissn>1600-5767</eissn><coden>JACGAR</coden><abstract>The FOCUS approach to zeolite structure determination from powder diffraction data has been applied to data from four different zeolitic materials. The solutions of the structures of two aluminophosphate molecular sieves, YUL‐89 (AWO topology) and YUL‐90 (ZON topology), are used to demonstrate routine applications of the procedure. The high‐silica zeolite ZSM‐5 (MFI topology), which has 12 Si atoms (38 framework atoms) in the asymmetric unit, and the gallophosphate cloverite (‐CLO topology), the framework of which is not fully fourfold connected, provide examples of extreme cases, which challenge the limits of the FOCUS algorithm. 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| ispartof | Journal of applied crystallography, 1999-06, Vol.32 (3), p.536-542 |
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| source | Crystallography Journals Online; Wiley Online Library Journals Frontfile Complete |
| subjects | Chemistry Condensed matter: structure, mechanical and thermal properties Exact sciences and technology General and physical chemistry Inorganic compounds Ion-exchange Physics Salts Single-crystal and powder diffraction Structure of solids and liquids crystallography Structure of specific crystalline solids Surface physical chemistry X-ray diffraction and scattering Zeolites: preparations and properties |
| title | Zeolite structure determination from powder diffraction data: applications of the FOCUS method |
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