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Petersen, Hilke, Zhao, Haishuang, Robben, Lars, Kolb, Ute, Gesing, Thorsten M. (2019) An average structure model of the intermediate phase between sodalite and cancrinite. Zeitschrift für Kristallographie - Crystalline Materials, 234 (5) 351-361 doi:10.1515/zkri-2018-2114

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Reference TypeJournal (article/letter/editorial)
TitleAn average structure model of the intermediate phase between sodalite and cancrinite
JournalZeitschrift für Kristallographie - Crystalline Materials
AuthorsPetersen, HilkeAuthor
Zhao, HaishuangAuthor
Robben, LarsAuthor
Kolb, UteAuthor
Gesing, Thorsten M.Author
Year2019 (May 27)Volume234
Issue5
PublisherWalter de Gruyter GmbH
DOIdoi:10.1515/zkri-2018-2114Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID118217Long-form Identifiermindat:1:5:118217:4
GUID0
Full ReferencePetersen, Hilke, Zhao, Haishuang, Robben, Lars, Kolb, Ute, Gesing, Thorsten M. (2019) An average structure model of the intermediate phase between sodalite and cancrinite. Zeitschrift für Kristallographie - Crystalline Materials, 234 (5) 351-361 doi:10.1515/zkri-2018-2114
Plain TextPetersen, Hilke, Zhao, Haishuang, Robben, Lars, Kolb, Ute, Gesing, Thorsten M. (2019) An average structure model of the intermediate phase between sodalite and cancrinite. Zeitschrift für Kristallographie - Crystalline Materials, 234 (5) 351-361 doi:10.1515/zkri-2018-2114
In(2019, May) Zeitschrift für Kristallographie - Crystalline Materials Vol. 234 (5) Walter de Gruyter GmbH
Abstract/NotesAbstract
Powder samples of the intermediate phase between sodalite and cancrinite (INT) have been synthesized hydrothermally. The formation of the INT phase was proved by both PXRD and TGA analysis and its stoichiometric composition was found to be |Na6.95(1)(CO3)0.48(2) (H2O)6.18(6)|[AlSiO4]6. The comparison of the intensity ratios of PXRD data with a SCXRD measurement indicates the formation of a comparable phase with the typical strong stacking disorder. The hexagonal lattice parameters with a=1266.3(2) pm and c=1586(1) pm and the unit cell setting were determined by Pawley fits. The average lattice and the stacking disorder along c axis could be confirmed by the reconstruction of three-dimensional ADT data. The average structure of INT was modeled considering only the combination of naturally existing (zeolitic) cages, restricted by the actual number of layers per unit cell. The possible combinations were further reduced by considering the amount of incorporated species. Through the comparison of simulated electron diffraction pattern to measured data the modeled framework could be confirmed. Using relative positions of the incorporated species in the natural cages as well as electron densities calculated by using only the framework of INT the positions of these species could be described.


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