Index

Topology dictionary (topoCIF) version 0.9.6

Category TOPOL_NODE

Parent category:
TOPOLOGY

Definition:

   
    The TOPOL_NODE category, along with TOPOL_ATOM, describes the topological
    properties, position, and chemical composition
    of the nodes of the underlying net. The TOPOL_NODE category is optional.
    It is only required for polyatomic nodes or in cases where the
    label given to the node is different from _atom_site.label. Data items
    _topol_node.fract_x, _topol_node.fract_y, and _topol_node.fract_z must be
    present only if the node's position cannot be derived from
    other data items in TOPOL_NODE or TOPOL_ATOM.
    Fractional coordinates can be given in other
    cases, but are to be considered secondary to calculations based on explicit
    or default symmetry transformations, present only for convenience.
    In the case of multiple nets, _topol_node.net_id is also required.

    Reference: Blatov, V. A., O'Keeffe, M. & Proserpio, D. M. (2010).
    Cryst. Eng. Comm. 12, 44-48, DOI:10.1039/B910671E.

Category is of type Loop