Crystallographic Information Framework

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Core dictionary (coreCIF) version 2.4.5




   A code which identifies a group of positionally disordered atom
   sites that are locally simultaneously occupied. Atoms that are
   positionally disordered over two or more sites (e.g. the hydrogen
   atoms of a methyl group that exists in two orientations) can
   be assigned to two or more groups. Sites belonging to the same
   group are simultaneously occupied, but those belonging to
   different groups are not. A minus prefix (e.g. "-1") is used to
   indicate sites disordered about a special position.


1 unique disordered site in group 1
2 unique disordered site in group 2
-1 symmetry-independent disordered site

Appears in list containing _atom_site_label

Type: char

Category: atom_site