Core dictionary (coreCIF)

Hall, Sydney R.; Allen, Frank H.; Brown, I. David; Toby, Brian H.; Hester, James R.; Vaitkus, Antanas; Rowles, Matthew R.; Bollinger, John C.; Rainer, Daniel N.; McMahon, Brian

doi:10.1107/97809553602060001011

RELATED SITES: IUCr | IUCr Journals

International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)

CIF_CORE_HEAD > STRUCTURE > ATOM > ATOM_TYPE > ATOM_TYPE_SCAT

Index

Core dictionary version 3.3.0

_atom_type_scat.Cromer_Mann_as

Name:
_atom_type_scat.Cromer_Mann_as

Definition:

   
    The set of Cromer-Mann 'a' coefficients for generating X-ray scattering
    factors:
    [ a1, a2, a3, a4 ].

    See also: _atom_type_scat.Cromer_Mann_bs
          _atom_type_scat.Cromer_Mann_c

    Reference: International Tables for Crystallography (2004).
       Vol. C, Table 6.1.1.4.

Type: Real

Values appear in List context.

Dimension: [4]

Units: none

Evaluation method:

    With t  as  atom_type_scat

     _atom_type_scat.Cromer_Mann_as  =  [ t.Cromer_Mann_a1,
                                          t.Cromer_Mann_a2,
                                          t.Cromer_Mann_a3,
                                          t.Cromer_Mann_a4 ]

Category:
atom_type_scat

International Tables for Crystallography (2026). Vol. G. Chapter 4.2
https://doi.org/10.1107/97809553602060001011