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On the relationship between unit cells and channel systems in high silica zeolites with the “butterfly” projection

  • Peng Guo , Wei Wan EMAIL logo , Lynne McCusker , Christian Baerlocher and Xiaodong Zou EMAIL logo
Published/Copyright: March 28, 2015
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 230 Issue 5

Abstract

Zeolites are crystalline aluminosilicate framework materials with corner sharing TO4 (T = Al, Si) tetrahedra forming well-defined pores and channels. Many zeolites are built from similar building units (i.e., isolated units, chains or layers), which are connected in different ways to form a variety of topologies. We have identified ten zeolite frameworks that share the same two-dimensional “butterfly” net containing 5-, 6- and 10-rings: *MRE, FER, MEL, SZR, MFS, MFI, TUN, IMF, BOG and TON. Different orientations of the TO4 tetrahedra within the layer lead to different connectivities between neighboring layers. Some layers are corrugated and some are flat, resulting in different channel systems parallel to the layer. We found some interesting relationships between the unit cell parameters and this channel system that allow the size of the channels and their directions to be deduced from the unit cell dimensions. This may facilitate the prediction of new members of this zeolite family. In addition, other zeolites containing the “butterfly” layers are also discussed.

Keywords: structure prediction; structure relationship; structure solution; zeolites
Corresponding authors: Wei Wan and Xiaodong Zou, Berzelii Centre EXSELENT on Porous Materials, Department of Materials and Environmental Chemistry, Stockholm University, SE-10691 Stockholm, Sweden; and Inorganic and Structural Chemistry, Department of Materials and Environmental Chemistry, Stockholm University, SE-10691 Stockholm, Sweden, E-mail: ,

Acknowledgments

The project was supported by the Swedish Research Council (VR), the Swedish Governmental Agency for Innovation Systems (VINNOVA) and the Knut & Alice Wallenberg Foundation through the project grant 3DEM-NATUR. We thank the reviewers for their help in identifying eight framework types containing the butterfly layer (–SVR, OKO, SFS, CON, TER, MEP, MTN and GON) by Topos Pro.

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Received: 2014-11-19
Accepted: 2015-2-23
Published Online: 2015-3-28
Published in Print: 2015-5-1

©2015 by De Gruyter

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Preface
  4. Special Issue: Zeolites
  5. Original Articles
  6. The importance of T⋯T⋯T angles in the feasibility of zeolites
  7. On the relationship between unit cells and channel systems in high silica zeolites with the “butterfly” projection
  8. A DFT-D study of the interaction of methane, carbon monoxide, and nitrogen with cation-exchanged SAPO-34
  9. Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data
  10. A microporous potassium vanadyl phosphate analogue of mahnertite: hydrothermal synthesis and crystal structure
  11. Crystal chemical models for the cancrinite-sodalite supergroup: the structure of a new 18-layer phase
  12. Synthesis and structure of new microporous Nd(III) silicates of the rhodesite group
  13. Structures of dehydrated microporous copper silicate CuSH-6Na, an in situ single crystal X-ray study
https://doi.org/10.1515/zkri-2014-1821
Keywords for this article
structure prediction; structure relationship; structure solution; zeolites

Articles in the same Issue

  1. Frontmatter
  2. Graphical Synopsis
  3. Preface
  4. Special Issue: Zeolites
  5. Original Articles
  6. The importance of T⋯T⋯T angles in the feasibility of zeolites
  7. On the relationship between unit cells and channel systems in high silica zeolites with the “butterfly” projection
  8. A DFT-D study of the interaction of methane, carbon monoxide, and nitrogen with cation-exchanged SAPO-34
  9. Structure and bonding of water molecules in zeolite hosts: Benchmarking plane-wave DFT against crystal structure data
  10. A microporous potassium vanadyl phosphate analogue of mahnertite: hydrothermal synthesis and crystal structure
  11. Crystal chemical models for the cancrinite-sodalite supergroup: the structure of a new 18-layer phase
  12. Synthesis and structure of new microporous Nd(III) silicates of the rhodesite group
  13. Structures of dehydrated microporous copper silicate CuSH-6Na, an in situ single crystal X-ray study
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