Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category ATOM_TYPE

Name:
'_atom_type_[]'

Definition:

   Data items in the ATOM_TYPE category record details about
   properties of the atoms that occupy the atom sites, such as the
   atomic scattering factors.

Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    loop_
    _atom_type_symbol
    _atom_type_oxidation_number
    _atom_type_number_in_cell
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
      C 0 72  .017  .009  International_Tables_Vol_IV_Table_2.2B
      H 0 100  0     0    International_Tables_Vol_IV_Table_2.2B
      O 0 12  .047  .032  International_Tables_Vol_IV_Table_2.2B
      N 0 4   .029  .018  International_Tables_Vol_IV_Table_2.2B


Type: null

Category: category_overview


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.