Potential Zeolites Related to Faujasite: Structures and Energetics

dc.contributor.authorDelgado-Friedrichs, Olaf
dc.contributor.authorFoster, Martin D
dc.contributor.authorO'Keeffe, Michael
dc.contributor.authorTreacy, Michael
dc.date.accessioned2022-10-04T22:40:46Z
dc.date.issued2020
dc.date.updated2021-11-28T07:21:07Z
dc.description.abstractWe describe five new zeolitic framework types, fav, faw, fax, fay, and sod-t, that are structurally related to faujasite. They are derived from isomorphic expansions of the tetrahedral nets associated with selected Frank-Kasper phases. Each tetrahedral vertex of the net is replaced by a sodalite cage (S) and each edge by a hexagonal prism (P), in effect replacing each vertex with an SP4 tetrahedron. Faujasite itself, framework type FAU, is an SP4 expansion of the diamond net. In the Frank-Kasper phases, the periodic incorporation of icosahedra, which can be subdivided into 20 almost-regular tetrahedral volumes, tends to minimize distortion of the associated tetrahedral SP4 framework, ensuring low framework energies. The computed framework energy of silicate fav compares most favorably with that for FAU and EMT, presenting an appealing zeolite synthesis target.en_AU
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn1528-7483en_AU
dc.identifier.urihttp://hdl.handle.net/1885/274285
dc.language.isoen_AUen_AU
dc.publisherAmerican Chemical Societyen_AU
dc.rights© 2020 American Chemical Societyen_AU
dc.sourceCrystal Growth & Designen_AU
dc.titlePotential Zeolites Related to Faujasite: Structures and Energeticsen_AU
dc.typeJournal articleen_AU
local.bibliographicCitation.issue10en_AU
local.bibliographicCitation.lastpage6902en_AU
local.bibliographicCitation.startpage6896en_AU
local.contributor.affiliationDelgado-Friedrichs, Olaf, College of Science, ANUen_AU
local.contributor.affiliationFoster, Martin D, Arizona State Universityen_AU
local.contributor.affiliationO'Keeffe, Michael, Arizona State Universityen_AU
local.contributor.affiliationTreacy, Michael, Arizona State Universityen_AU
local.contributor.authoremailu4452761@anu.edu.auen_AU
local.contributor.authoruidDelgado-Friedrichs, Olaf, u4452761en_AU
local.description.embargo2099-12-31
local.description.notesImported from ARIESen_AU
local.identifier.absfor340300 - Macromolecular and materials chemistryen_AU
local.identifier.ariespublicationa383154xPUB15253en_AU
local.identifier.citationvolume20en_AU
local.identifier.doi10.1021/acs.cgd.0c00946en_AU
local.identifier.scopusID2-s2.0-85095120232
local.identifier.uidSubmittedBya383154en_AU
local.publisher.urlhttp://pubs.acs.org/journal/cgdefuen_AU
local.type.statusPublished Versionen_AU

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