Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

_atom_type.symbol

Name:
'_atom_type.symbol'

Definition:

   The code used to identify the atom species (singular or plural)
   representing this atom type. Normally this code is the element
   symbol. The code may be composed of any character except
   an underscore with the additional proviso that digits designate
   an oxidation state and must be followed by a + or - character.

Examples:

C
Cu2+
H(SDS)
dummy
FeNi

Type: code

Mandatory item: yes

Alias:
_atom_type_symbol (cif_core.dic version 2.0.1)
The following item(s) have an equivalent role in their respective categories:
_atom_site.type_symbol
_atom_site_anisotrop.type_symbol
_chemical_conn_atom.type_symbol
_chem_comp_atom.type_symbol
_phasing_MIR_der_site.atom_type_symbol

Category: atom_type


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.