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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
Category ATOM_ANALYTICAL
Name:'ATOM_ANALYTICAL'
Parent category:
ATOM
Definition:
Data items in the ATOM_ANALYTICAL category describe elemental
composition information used in crystallographic
structure studies.
Example:
There are three separate determinations of Si content, and one each
of Al and Ti. The amount of Al is reported as the mass percent of
Al2O3. The equivalent amount of Al is not given. There are four
different measurements presented in this table.
loop_
_atom_analytical.id
_atom_analytical.analyte
_atom_analytical.meas_id
_atom_analytical.chemical_species
_atom_analytical.analyte_mass_percent
_atom_analytical.chemical_species_mass_percent
1 Si a 'Si O2' ? 22.7
2 Al a 'Al2 O3' ? 27.4
3 Ti b 'Ti O2' ? 2.7
4 Si c . 10.5 .
5 Si d Si 11.7 11.7
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Category is of type Loop
Category key:_atom_analytical.id
This category contains the following items
