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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_atom_site.occupancy
Name:_atom_site.occupancy
Alias:
_atom_site_occupancy
Definition:
The fraction of the atom type present at this site.
The sum of the occupancies of all the atom types at this site
may not significantly exceed 1.0 unless it is a dummy site. The
value must lie in the 99.97% Gaussian confidence interval
-3u =< x =< 1 + 3u. The _enumeration.range of 0.0:1.0 is thus
correctly interpreted as meaning (0.0 - 3u) =< x =< (1.0 + 3u).
Type: Real
Units: none
The permitted range is 0.0 → 1.0
Category:
atom_site
