Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category CELL

Name:
'_cell_[]'

Definition:

   Data items in the CELL category record details about the
   crystallographic cell parameters and their measurement.

Example:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277]. 
 
    _cell_length_a                     5.959(1)
    _cell_length_b                     14.956(1)
    _cell_length_c                     19.737(3)
    _cell_angle_alpha                  90
    _cell_angle_beta                   90
    _cell_angle_gamma                  90
    _cell_volume                       1759.0(3)

    _cell_measurement_temperature      293
    _cell_measurement_reflns_used      25
    _cell_measurement_theta_min        25
    _cell_measurement_theta_max        31


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.