Index

Core dictionary version 3.3.0

_space_group.transform_Pp_abc

Definition:

   
    This item specifies the transformation (P,p) of the basis
    vectors from the setting used in the CIF (a,b,c) to the
    reference setting given in _space_group.reference_setting
    (a',b',c'). The value is given in Jones' faithful notation
    corresponding to the rotational matrix P combined with the
    origin shift vector p in the expression:

     (a',b',c') = (a,b,c)P + p.

    P is a post-multiplication matrix of a row (a,b,c) of column
    vectors. It is related to the inverse transformation (Q,q) by:

     P = Q^-1^
     p = Pq = -(Q^-1^)q.

    These transformations are applied as follows:

    atomic coordinates  (x',y',z') = Q(x,y,z) + q
    Miller indices      (h',k',l') = (h,k,l)P
    symmetry operations         W' = (Q,q)W(P,p)
    basis vectors       (a',b',c') = (a,b,c)P + p

    This item is given as a character string involving the
    characters a, b and c with commas separating the expressions
    for the a', b' and c' vectors. The numeric values may be
    given as integers, fractions or real numbers. Multiplication
    is implicit, division must be explicit. White space within
    the string is optional.

Type: Text

Category:
space_group