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_SITE

Index

Core dictionary version 3.3.0

_atom_site.constraints

Name:
_atom_site.constraints

Alias:
_atom_site_constraints

Definition:

   
    A description of the constraints applied to parameters at this
    site during refinement. See also _atom_site.refinement_flags_*
    and _refine_ls.number_constraints.

Example:

pop=1.0-pop(Zn3)

Type: Text

Category:
atom_site

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