ZeoFile: A stack of zeolite structure types

J. M. Newsam, M. M.J. Treacy

Research output: Contribution to journalArticle

20 Scopus citations

Abstract

An anthology of data on the known zeolite structure types (inspired by the Atlas of Zeolite StructureTypes by W.M. Meier and D.H. Olson [Butterworths, Surrey, 1992]) has been implemented as a HyperCard stack (called ZeoFile) for the Apple Macintosh computer. ZeoFile currently contains information (such as the character of the pore architecture, topological information, data on the type species, and key references) on more than 85 structure types and incorporates various cross-referencings, including categorization by, for example, materials type, ring size, secondary building unit, and loop configurations. Framework atomic coordinates and symmetry data for a representative example of each structure type and a variety of graphical representations, including some simple animations, are given. The reference and coordinate/symmetry data and the graphical representations can be imported into other applications via "cut-and-paste" treatment. An interactive utility for simulating powder X-ray, neutron, and electron diffraction patterns based on these or other crystal structure data is also included.

Original languageEnglish (US)
Pages (from-to)183-186
Number of pages4
JournalZeolites
Volume13
Issue number3
DOIs
StatePublished - Mar 1993
Externally publishedYes

Keywords

  • ZeoFile
  • powder diffraction simulation
  • structure database

ASJC Scopus subject areas

  • Environmental Science(all)

Fingerprint Dive into the research topics of 'ZeoFile: A stack of zeolite structure types'. Together they form a unique fingerprint.

  • Cite this