Crystallographic Information Framework

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Index

Magnetic structures (magCIF) version 0.9.8

Category ATOM_SITE_ROTATION

Name:
'ATOM_SITE_ROTATION'

Parent category:
atom_site

Definition:

   
     This category provides a loop for presenting atom-site axial-vector
     rotations in several coordinate systems. Such axial vectors can
     be applied to describe the rotations of molecular or polyhedral
     rigid bodies about their pivot atoms or sites, though the use of this
     category to describe patterns of rotations does not require
     that rigid bodies be explicitly defined. Because magnetic moments 
     and rotations are both axial rather than polar vectors, their 
     descriptive requirements are highly analogous, except that static 
     rotations are insensitive to time-reversal, so that normal
     (non-magnetic) symmetry groups are appropriate. This is a child category 
     of the ATOM_SITE category, though pivot-site rotations will typically 
     be listed in a separate loop; the category items mirror those of defined
     for the ATOM_SITE_MOMENT category.  

Category is of type Loop

Category key:
    _atom_site_rotation.label