Index

Core dictionary version 3.3.0

_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 the bold italic x in International
    Tables for Crystallography Volume A, Chapter 1.5.)

    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 Volume A (2016), 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.

    Reference: International Tables for Crystallography (2016). Volume A,
     Space-group symmetry, edited by M. I. Aroyo, 6th ed.
     Chichester: John Wiley & Sons.

Type: Text

Category:
space_group_symop