Index

Multi-block CIF dictionary version 1.1.0

Category GEOM

Parent category:
MODEL

Definition:

   
    Data items in the GEOM category describe aspects of the overall
    geometry of the structural model as derived from the atomic sites.
    The detailed geometry is expressed in terms of the interatomic
    angles (GEOM_ANGLE data), covalent bond distances (GEOM_BOND
    data), contact distances (GEOM_CONTACT data), hydrogen bonds
    (GEOM_HBOND data) and torsion geometry (GEOM_TORSION data).
    Geometry data are usually redundant, in that they can be
    calculated from other more fundamental quantities in the data
    block. However, they serve the dual purposes of providing a check
    on the correctness of both sets of data and of enabling the most
    important geometric data to be identified for publication by
    setting the appropriate publication flag.

Category is of type Set