Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category EXPTL_CRYSTAL

Name:
'_exptl_crystal_[]'

Definition:

   Data items in the EXPTL_CRYSTAL category record details about
   experimental measurements on the crystal or crystals used,
   such as shape, size or density.

Examples:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    _exptl_crystal_description          prism
    _exptl_crystal_colour               colourless
    _exptl_crystal_size_max             0.32
    _exptl_crystal_size_mid             0.27
    _exptl_crystal_size_min             0.10
    _exptl_crystal_density_diffrn       1.146
    _exptl_crystal_density_meas         ?
    _exptl_crystal_density_method       'not measured'
    _exptl_crystal_F_000                656


Example 2 - using separate items to define upper and lower limits for a value. 
    _exptl_crystal_density_meas_gt       2.5
    _exptl_crystal_density_meas_lt       5.0


Example 3 - here the density was measured at some unspecified temperature below room temperature. 
    _exptl_crystal_density_meas_temp_lt 300


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.