International Tables for Crystallography (2019). Vol. H. ch. 4.6, pp. 452-464
https://doi.org/10.1107/97809553602060000961

Chapter 4.6. Zeolites

Contents

  • 4.6. Zeolites  (pp. 452-464) | html | pdf | chapter contents |
    L. B. McCusker and Ch. Baerlocher
    • 4.6.1. Introduction  (p. 452) | html | pdf |
    • 4.6.2. Framework structure determination  (pp. 452-458) | html | pdf |
      • 4.6.2.1. Preliminary steps  (p. 454) | html | pdf |
      • 4.6.2.2. Model building  (pp. 454-455) | html | pdf |
      • 4.6.2.3. Focus  (pp. 455-456) | html | pdf |
      • 4.6.2.4. Direct methods  (p. 456) | html | pdf |
      • 4.6.2.5. Charge flipping  (pp. 456-457) | html | pdf |
      • 4.6.2.6. Using additional information  (pp. 457-458) | html | pdf |
    • 4.6.3. Structure refinement  (pp. 458-462) | html | pdf |
      • 4.6.3.1. Space-group ambiguity  (p. 458) | html | pdf |
      • 4.6.3.2. Geometric restraints  (p. 458) | html | pdf |
      • 4.6.3.3. Disorder  (pp. 458-459) | html | pdf |
      • 4.6.3.4. Locating non-framework species  (pp. 459-460) | html | pdf |
      • 4.6.3.5. Rietveld refinement of SSZ-74  (pp. 460-462) | html | pdf |
      • 4.6.3.6. Locating isomorphously substituted T atoms  (p. 462) | html | pdf |
    • 4.6.4. Conclusions  (pp. 462-463) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 4.6.1. The 231 framework type codes assigned by March 2016 and how their structures were solved  (p. 452) | html | pdf |
      • Fig. 4.6.2. The evolution of methods used to solve zeolite framework structures  (p. 453) | html | pdf |
      • Fig. 4.6.3. A histogram of the number of T atoms in the asymmetric unit for the 231 zeolite framework types, showing the methods used to solve their structures  (p. 453) | html | pdf |
      • Fig. 4.6.4. The framework structure of zeolite A (LTA) showing the 8-rings on the surfaces of the cubic unit cell and the linkages between them to form the lta cavity  (p. 455) | html | pdf |
      • Fig. 4.6.5. The `butterfly' unit and projections of the three 10- and 12-ring framework types that have this unit, one-dimensional channels and a 5 Å repeat along the channel  (p. 455) | html | pdf |
      • Fig. 4.6.6. Flow chart of the Focus program  (p. 456) | html | pdf |
      • Fig. 4.6.7. Flow chart of the charge-flipping algorithm implemented in Superflip  (p. 457) | html | pdf |
      • Fig. 4.6.8. Structure envelope for SSZ-74  (p. 458) | html | pdf |
      • Fig. 4.6.9. The disorder of the Na+ ion (green) in the 8-ring of zeolite A (LTA)  (p. 459) | html | pdf |
      • Fig. 4.6.10. (a) The measured powder diffraction pattern for the silicoalumino­phos­phate SAPO-40 (AFR)  (p. 459) | html | pdf |
      • Fig. 4.6.11. Difference electron-density maps (blue) calculated for SAPO-40 (AFR) along the [001] (left) and [010] (right) directions using (a) the scale factor calculated for the full diffraction pattern (Fig  (p. 460) | html | pdf |
      • Fig. 4.6.12. The structure completion and Rietveld refinement of SSZ-74 (-SVR)  (p. 461) | html | pdf |
      • Fig. 4.6.13. The structure-directing agent (SDA) used in the synthesis of SSZ-74 and the difference electron-density map (orange) generated from the pattern and model shown in Fig  (p. 462) | html | pdf |