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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