For struc\u00adture solu\u00adtion, i.e. when the zeo\u00adlite frame\u00adwork struc\u00adture is not known, the prob\u00adlems to be over\u00adcome are twofold: (1) the basic phase prob\u00adlem, which is cen\u00adtral to all crys\u00adtal\u00adlo\u00adgraph\u00adic struc\u00adture analy\u00adses (includ\u00ading sin\u00adgle crys\u00adtals), and (2) the reflec\u00adtion over\u00adlap prob\u00adlem, which is spe\u00adcif\u00adic to pow\u00adder dif\u00adfrac\u00adtion data. Over the years, our group has devel\u00adoped sev\u00ader\u00adal dif\u00adfer\u00adent approach\u00ades to these prob\u00adlems, and a few of these (the use of chem\u00adi\u00adcal infor\u00adma\u00adtion to sup\u00adple\u00adment the pow\u00adder dif\u00adfrac\u00adtion data, the adap\u00adta\u00adtion of the charge-flip\u00adping algo\u00adrithm to accom\u00admo\u00addate pow\u00adder dif\u00adfrac\u00adtion data, and the use of elec\u00adtron microscopy data to com\u00adple\u00adment the pow\u00adder dif\u00adfrac\u00adtion data) will be described.<\/p>\n Once the basic frame\u00adwork struc\u00adture is known, inves\u00adti\u00adga\u00adtion of the details of the struc\u00adture can begin. Where is the struc\u00adture direct\u00ading agent? Where are the iso\u00admor\u00adphous\u00adly sub\u00adsti\u00adtut\u00aded atoms in the frame\u00adwork? What hap\u00adpens upon cal\u00adci\u00adna\u00adtion? Where are the ions before and after ion exchange? Where are the sorbed mol\u00ade\u00adcules? Under favor\u00adable cir\u00adcum\u00adstances, these ques\u00adtions can be addressed by gen\u00ader\u00adat\u00ading dif\u00adfer\u00adence elec\u00adtron den\u00adsi\u00adty maps using the mea\u00adsured pow\u00adder dif\u00adfrac\u00adtion pat\u00adtern and the frame\u00adwork struc\u00adture mod\u00adel. How\u00adev\u00ader, not all prob\u00adlems are amenable to this tech\u00adnique and even when they are, the inter\u00adpre\u00adta\u00adtion of the maps still requires con\u00adsid\u00ader\u00adable patience and per\u00adse\u00adver\u00adance. The pos\u00adsi\u00adbil\u00adi\u00adties and lim\u00adi\u00adta\u00adtions will be dis\u00adcussed. 2011 Spring Sym\u00adpo\u00adsium Lynne B. McCusker and Chris\u00adt\u00adian Baer\u00adlocher Lab\u00ado\u00adra\u00adto\u00adry of Crys\u00adtal\u00adlog\u00adra\u00adphy ETH Zurich Abstract \u2014 Struc\u00adtur\u00adal infor\u00adma\u00adtion is essen\u00adtial to the under\u00adstand\u00ading of zeo\u00adlite chem\u00adistry. Whether it is the syn\u00adthe\u00adsis process, the adsorp\u00adtion prop\u00ader\u00adties, the ion-exchange selec\u00adtiv\u00adi\u00adty, or the cat\u00adalyt\u00adic activ\u00adi\u00adty that is of inter\u00adest, the key lies in the struc\u00adture. How\u00adev\u00ader, zeolitic [\u2026]<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[15],"tags":[],"class_list":["post-2337","post","type-post","status-publish","format-standard","hentry","category-abstracts"],"_links":{"self":[{"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/2337","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/comments?post=2337"}],"version-history":[{"count":4,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/2337\/revisions"}],"predecessor-version":[{"id":2411,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/posts\/2337\/revisions\/2411"}],"wp:attachment":[{"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/media?parent=2337"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/categories?post=2337"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/catalysisclubphilly.org\/awe9a91v\/wp-json\/wp\/v2\/tags?post=2337"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
\nLynne B. McCusker<\/strong> and Chris\u00adt\u00adian Baer\u00adlocher
\nLab\u00ado\u00adra\u00adto\u00adry of Crys\u00adtal\u00adlog\u00adra\u00adphy
\nETH Zurich<\/em>
\n
\nAbstract<\/strong> \u2014 Struc\u00adtur\u00adal infor\u00adma\u00adtion is essen\u00adtial to the under\u00adstand\u00ading of zeo\u00adlite chem\u00adistry. Whether it is the syn\u00adthe\u00adsis process, the adsorp\u00adtion prop\u00ader\u00adties, the ion-exchange selec\u00adtiv\u00adi\u00adty, or the cat\u00adalyt\u00adic activ\u00adi\u00adty that is of inter\u00adest, the key lies in the struc\u00adture. How\u00adev\u00ader, zeolitic mate\u00adri\u00adals tend to be poly\u00adcrys\u00adtalline, so stan\u00addard sin\u00adgle-crys\u00adtal meth\u00adods of struc\u00adture analy\u00adsis can\u00adnot be applied. For\u00adtu\u00adnate\u00adly, pow\u00adder dif\u00adfrac\u00adtion meth\u00adods have devel\u00adoped enor\u00admous\u00adly in the last 20 years, and as a result, struc\u00adture analy\u00adsis using pow\u00adder dif\u00adfrac\u00adtion data has become almost rou\u00adtine. Nev\u00ader\u00adthe\u00adless, zeo\u00adlite struc\u00adtures often pose a chal\u00adlenge to these meth\u00adods.<\/p>\n
\n
\nSpeaker\u2019s Biog\u00adra\u00adphy<\/strong> \u2014 Lynne McCusker has been study\u00ading zeo\u00adlite crys\u00adtal struc\u00adtures since she start\u00aded her doc\u00adtor\u00adal research with Karl Seff at the Uni\u00adver\u00adsi\u00adty of Hawaii in 1976. After spend\u00ading three years as a post\u00addoc in the group of Wal\u00adter Meier at the ETH in Zurich, Switzer\u00adland learn\u00ading pow\u00adder dif\u00adfrac\u00adtion tech\u00adniques from Chris\u00adt\u00adian Baer\u00adlocher, she moved on to Texas A&<\/span>M Uni\u00adver\u00adsi\u00adty to put these new\u00adly acquired skills into prac\u00adtice. In 1985, she moved back across the Atlantic for anoth\u00ader post\u00addoc, this time at Oxford Uni\u00adver\u00adsi\u00adty in Mike Glazer\u2019s group. There she learned the val\u00adue of syn\u00adchro\u00adtron radi\u00ada\u00adtion and solved her first nov\u00adel zeo\u00adlite frame\u00adwork struc\u00adture (Sig\u00adma 2). For this work, she received the Bar\u00adrer Award from the British Zeo\u00adlite Asso\u00adci\u00ada\u00adtion in 1987 and the Phys\u00adi\u00adcal Crys\u00adtal\u00adlog\u00adra\u00adphy Award from the British Crys\u00adtal\u00adlo\u00adgraph\u00adic Asso\u00adci\u00ada\u00adtion in 1989. In 1988, she returned to the ETH and for the last 20 years has head\u00aded a group, togeth\u00ader with Chris\u00adt\u00adian Baer\u00adlocher, devot\u00aded to the devel\u00adop\u00adment of method\u00adol\u00ado\u00adgy for solv\u00ading zeo\u00adlite frame\u00adwork struc\u00adtures from pow\u00adder dif\u00adfrac\u00adtion data. In 2007, they received the Breck Award of the IZA (togeth\u00ader with Osamu Terasa\u00adki) for their zeo\u00adlite struc\u00adtur\u00adal work. In 2010, she received the IZA award for the research she has done with Chris\u00adt\u00adian and for her ser\u00advice to the IZA com\u00admu\u00adni\u00adty.<\/p>\n","protected":false},"excerpt":{"rendered":"