Crystallographic Information Framework

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Index

Core dictionary (coreCIF) version 2.4.5

_atom_sites_fract_tran_matrix_

Names:
'_atom_sites_fract_tran_matrix_11' '_atom_sites_fract_tran_matrix_12' '_atom_sites_fract_tran_matrix_13' '_atom_sites_fract_tran_matrix_21' '_atom_sites_fract_tran_matrix_22' '_atom_sites_fract_tran_matrix_23' '_atom_sites_fract_tran_matrix_31' '_atom_sites_fract_tran_matrix_32' '_atom_sites_fract_tran_matrix_33'

Definition:

   Matrix elements used to transform Cartesian coordinates in
   the ATOM_SITE category to fractional coordinates. The axial
   alignments of this transformation are described in
   _atom_sites_Cartn_transform_axes. The 3 x 1 translation is
   defined in _atom_sites_fract_tran_vector_.
     x'                   |11 12 13|      x                 | 1 |
   ( y' ) fractional  =   |21 22 23|    ( y ) Cartesian  +  | 2 |
     z'                   |31 32 33|      z                 | 3 |

Type: numb

Category: atom_sites


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.