Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

_chemical_formula.analytical

Name:
'_chemical_formula.analytical'

Definition:

   Formula determined by standard chemical analysis including trace
   elements. See the CHEMICAL_FORMULA category description for
   rules for writing chemical formulae. Parentheses are used only
   for standard uncertainties (estimated standard deviations).

Example:

'Fe2.45(2) Ni1.60(3) S4'

Type: text

Mandatory item: no

Alias:
_chemical_formula_analytical (cif_core.dic version 2.0.1)

Category: chemical_formula


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.