Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

Category CELL_MEASUREMENT_REFLN

Name:
'_cell_measurement_refln_[]'

Definition:

   Data items in the CELL_MEASUREMENT_REFLN category record
   details about the reflections used in the determination of the
   crystallographic cell parameters.

   The _cell_measurement_refln_ data items would in general be used
   only for diffractometer measurements.

Example:

Example 1 - extracted from the CAD-4 listing for Rb~2~S~2~O~6~ at room temperature (unpublished). 
 
    loop_
     _cell_measurement_refln_index_h
     _cell_measurement_refln_index_k
     _cell_measurement_refln_index_l
     _cell_measurement_refln_theta
       -2    4    1          8.67
        0    3    2          9.45
        3    0    2          9.46
       -3    4    1          8.93
       -2    1   -2          7.53
       10    0    0         23.77
        0   10    0         23.78
       -5    4    1         11.14
      # - - - - data truncated for brevity - - - -


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.