STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

Alessandro Turrina; Raquel Garcia; Abigail E. Watts; Heather F. Greer; Jonathan Bradley; Wuzong Zhou; Paul A. Cox; Mervyn D. Shannon; Alvaro Mayoral; John L. Casci; Paul A. Wright

doi:10.1021/acs.chemmater.6b04892

STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

Alessandro Turrina, Raquel Garcia, Abigail E. Watts, Heather F. Greer, Jonathan Bradley, Wuzong Zhou, Paul A. Cox, Mervyn D. Shannon, Alvaro Mayoral, John L. Casci, Paul A. Wright

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Abstract

A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as cotemplates. Its structure has been solved and confirmed using a multitechnique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) Å and c = 30.5833(4) Å in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. In addition to d6r, can, and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, ¹³C MAS NMR, computer modeling, and Rietveld refinement.

Original language	English
Pages (from-to)	2180-2190
Number of pages	11
Journal	Chemistry of Materials
Volume	29
Issue number	5
DOIs	https://doi.org/10.1021/acs.chemmater.6b04892
Publication status	Published - 5 Feb 2017

Keywords

RCUK
EPSRC
EP/N50936X/1

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10.1021/acs.chemmater.6b04892

STA-20 An ABC-6 Zeotype Structure
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Chemistry of Materials, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b04892
Accepted author manuscript (Post-print), 1.84 MB

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Turrina, A., Garcia, R., Watts, A. E., Greer, H. F., Bradley, J., Zhou, W., Cox, P. A., Shannon, M. D., Mayoral, A., Casci, J. L., & Wright, P. A. (2017). STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging. Chemistry of Materials, 29(5), 2180-2190. https://doi.org/10.1021/acs.chemmater.6b04892

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title = "STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging",

abstract = "A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as cotemplates. Its structure has been solved and confirmed using a multitechnique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) {\AA} and c = 30.5833(4) {\AA} in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. In addition to d6r, can, and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, 13C MAS NMR, computer modeling, and Rietveld refinement.",

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author = "Alessandro Turrina and Raquel Garcia and Watts, {Abigail E.} and Greer, {Heather F.} and Jonathan Bradley and Wuzong Zhou and Cox, {Paul A.} and Shannon, {Mervyn D.} and Alvaro Mayoral and Casci, {John L.} and Wright, {Paul A.}",

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AB - A microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as cotemplates. Its structure has been solved and confirmed using a multitechnique approach that included the use of a hypothetical zeolite database to obtain a candidate starting structure, followed by scanning transmission electron microscopy with annular dark field imaging and Rietveld refinement. STA-20 is a member of the ABC-6 family of zeotype structures. The structure has trigonal symmetry, P-31c, with a = 13.15497(18) Å and c = 30.5833(4) Å in the calcined form. It has a 12-layer stacking sequence of 6-rings (6Rs), AABAABAACAAC(A), which contains single and double 6R units. In addition to d6r, can, and gme cages, STA-20 possesses the longest cage observed in an ordered ABC-6 material, giving a 3D-connected pore system limited by 8R windows. Models for the location of the templates within cages of the framework were obtained by combining elemental analysis, 13C MAS NMR, computer modeling, and Rietveld refinement.

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STA-20: an ABC-6 zeotype structure prepared by co-templating and solved via a hypothetical structure database and STEM-ADF imaging

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