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Add some basic information about MSG construct types. (#51)
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Co-authored-by: James.Hester <[email protected]>
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jamesrhester and James.Hester authored Dec 1, 2023
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Expand Up @@ -2616,12 +2616,43 @@ save_SPACE_GROUP_MAGN
_definition.id SPACE_GROUP_MAGN
_definition.scope Category
_definition.class Set
_definition.update 2016-10-10
_definition.update 2023-09-13
_description.text
;
The data items in this category provide identifying and/or
descriptive information about the relevant magnetic symmetry
group and setting.
descriptive information about the relevant space group (MSG) or
magnetic superspace group (MSSG) and its setting.

There are 1651 distinct equivalence classes of MSGs, each of
which can be referred to as an MSG "type" following the usage of
this word in the International Tables of Crystallography. Similarly,
there are over 300000 distinct equivalence classes of MSSGs with
up to 3 independent modulations, each of which can be referred to
as an MSSG "type".

However, it is important to appreciate that the word “type” is commonly
used in an entirely different way in the context of MSGs and MSSGs.
Any magnetic group can be constructed by starting with
a non-magnetic space group F, and then by adding the time-reversal
operation to half or all or none of its elements. The
four ways of doing this give rise to four distinct "construct types",
which we refer to simply as type-1, type-2, type-3, and type-4,
though some refer to type-3 as type-3a and type-4 as and type3b.

For a type-1 MSG/MSSG, M = F, so that there are no time-reversed elements.
For a type-2 MSG/MSSG, M = F + F1', so that there is both a time-reversed
and a non-time-reversed copy of each element in F.
For a type-3 or type-4 MSG/MSSG, M = D + (F - D)1', where D is an index-2
subgroup of F whose elements are not time reversed, whereas every
element in F – D (the complement of D in F) is time reversed.
For a type-3 MSG/MSSG, F and D have the same translation subgroup (lattice)
but different point groups.
For a type-4 MSG/MSSG, F and D and the same point groups but different
translation subgroups.

Ref: 'Magnetic Group Tables' by D.B. Litvin at
http://www.iucr.org/publ/978-0-9553602-2-0.
ISO-MAG tables of H.T. Stokes and B.J. Campbell at http://iso.byu.edu.
;
_name.category_id MAGNETIC
_name.object_id SPACE_GROUP_MAGN
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