Magnetic structures (magCIF) version 0.9.8
Category SPACE_GROUP_SYMOP_MAGN_CENTERING
Name:'SPACE_GROUP_SYMOP_MAGN_CENTERING'
Parent category:
MAGNETIC
Definition:
This loop provides a list of centering or anti-centering
translation in a BNS-supercell description of a magnetic space
group.
Keeping the centering and anti-centering translations in a
separate loop leaves only representative point operations in the
main SPACE_GROUP_SYMOP_MAGN_OPERATION loop. The direct sum of
the two loops produces the full set of representative operations
of the magnetic space group. This centering loop is optional, so
that it is always possible to include all of the symmetry
operations in the main loop.
When this centering loop is employed, the representative point
operations in the main SPACE_GROUP_SYMOP_MAGN_OPERATION loop may
not form a closed subgroup, but instead generate some of the
fractional translations of the centering loop. Despite this
annoyance, a separate centering loop is important because
magnetic structures tend to have a relatively large number of
centering and anti-centering translations, which can make the
resulting list of operators very long and unintuitive, especially
when working in non-standard settings.
One could argue that anti-centering operations belong in the main
representative- point-operation loop since they are not actually
translations of the magnetic lattice. In fact, a pure time
reversal is a generator of the magnetic point group of a type-4
magnetic space group. Nevertheless, this centering loop is
defined to include the anti-centerings due to the common
practice of referring to a "black and white" lattice of
centerings and anti-centerings.
Example:Category is of type Loop
Category key:_space_group_symop_magn_centering.id


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