Index

Core dictionary version 3.0.14

_space_group_symop.operation_xyz

Definition:

   
     A parsable string giving one of the symmetry operations of the
     space group in algebraic form.  If W is a matrix representation
     of the rotational part of the symmetry operation defined by the
     positions and signs of x, y and z, and w is a column of
     translations defined by fractions, an equivalent position
     X' is generated from a given position X by the equation
 
           X' = WX + w
 
     (Note: X is used to represent bold_italics_x in International
     Tables for Crystallography Vol. A, Part 5)
 
     When a list of symmetry operations is given, it must contain
     a complete set of coordinate representatives which generates
     all the operations of the space group by the addition of
     all primitive translations of the space group. Such
     representatives are to be found as the coordinates of
     the general-equivalent position in International Tables for
     Crystallography Vol. A (2002), to which it is necessary to
     add any centring translations shown above the
     general-equivalent position.
 
     That is to say, it is necessary to list explicitly all the
     symmetry operations required to generate all the atoms in
     the unit cell defined by the setting used.

Type: Text

Category:
space_group_symop