International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001007

Chapter 3.10. Classification and use of topological data

Contents

  • Classification and use of topological data | html | pdf | chapter contents |
    Vladislav A. Blatov, Davide M. Proserpio and Robert M. Hanson
    • 3.10.1. Introduction| html | pdf |
    • 3.10.2. Dictionary design considerations| html | pdf |
      • 3.10.2.1. Overall format| html | pdf |
      • 3.10.2.2. Categories and scope| html | pdf |
    • 3.10.3. Classification of data definitions| html | pdf |
      • 3.10.3.1. Underlying net description| html | pdf |
        • 3.10.3.1.1. TOPOL_NODE| html | pdf |
        • 3.10.3.1.2. TOPOL_LINK| html | pdf |
        • 3.10.3.1.3. TOPOL_ATOM| html | pdf |
      • 3.10.3.2. Underlying net topological properties| html | pdf |
        • 3.10.3.2.1. TOPOL_NET| html | pdf |
        • 3.10.3.2.2. TOPOL_TILING| html | pdf |
        • 3.10.3.2.3. TOPOL_ENTANGL| html | pdf |
    • 3.10.4. Examples| html | pdf |
    • 3.10.5. Available reference implementations| html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 3.10.3.1. Relationships between the main categories of the topoCIF dictionary| html | pdf |
      • Fig. 3.10.3.2. The solid angle of the shaded Voronoi polyhedron face in the body-centred cubic lattice is equal to the shaded segment of the unit sphere being cut off by the pyramid with the Voronoi polyhedron atom [A] at the vertex and the face in the base| html | pdf |
      • Fig. 3.10.4.1. Oblique view of the dia net described in Example 3.10.4.1| html | pdf |
      • Fig. 3.10.4.2. Two interpenetrating diamondoid nets in the LiCo(CO)[_4] crystal structure described as atomic (a) and underlying (b) nets in Example 3.10.4.2| html | pdf |
      • Fig. 3.10.4.3. Part of the network of calcite| html | pdf |
      • Fig. 3.10.4.4. (a) Two interpenetrating diamondoid nets in the Cu[_2]O crystal structure| html | pdf |
      • Fig. 3.10.4.5. Representations of the nets associated with the crystal structure of MOF-5 (Example 3.10.4.5)| html | pdf |
      • Fig. 3.10.4.6. Conventional view approximately down the a axis of the crystal packing of cyanamide showing the hydrogen-bonded net described by the TOPOL_LINK connectivity description in Example 3.10.4.6| html | pdf |