⋯ > [ATOM_SITE] > ATOM_SITE_ROTATION
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
This category contains the following items
- _atom_site_rotation.Cartn
- _atom_site_rotation.Cartn_x
- _atom_site_rotation.Cartn_y
- _atom_site_rotation.Cartn_z
- _atom_site_rotation.crystalaxis
- _atom_site_rotation.crystalaxis_x
- _atom_site_rotation.crystalaxis_y
- _atom_site_rotation.crystalaxis_z
- _atom_site_rotation.label
- _atom_site_rotation.magnitude
- _atom_site_rotation.modulation_flag
- _atom_site_rotation.refinement_flags_rotational
- _atom_site_rotation.spherical_azimuthal
- _atom_site_rotation.spherical_modulus
- _atom_site_rotation.spherical_polar
- _atom_site_rotation.symmform


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