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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.disorder_assembly
Name:_atom_site.disorder_assembly
Alias:
_atom_site_disorder_assembly
Definition:
A code which identifies a cluster of atoms that show long-range positional
disorder but are locally ordered. Within each such cluster of atoms,
_atom_site.disorder_group is used to identify the sites that are
simultaneously occupied. This field is only needed if there is more than
one cluster of disordered atoms showing independent local order.
Examples:| A | Disordered methyl assembly with groups 1 and 2. |
| B | Disordered sites related by a mirror. |
| C | Assembly with groups that describe alternative compositions of a compositionally disordered site. |
| S | Disordered sites independent of symmetry. |
Type: Word
Category:
atom_site
