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 <TITLE>Space group decoding</TITLE>
 <pre>
 +-----------------------------------------------------------------------------+ 
 |                          P R O G R A M   S E X I E                          | 
 +-----------------------------------------------------------------------------+ 
 |        Calculation of Coordination Shells and Interatomic Distances         | 
 |                                Bernhard Rupp                                | 
 |                       Version 5.4, Revision 04/11/97                        | 
 |                  Proprietary code of Bernhard Rupp  (C) 1988-97             | 
 +-----------------------------------------------------------------------------+ 
 | Title : Webjob on Wed Jul 16 2003 at 17:42:22 from 65.110.129.25            | 
 | Control parameters :                                                        | 
 | No atom card detected - space group decoding only                           | 
 +-----------------------------------------------------------------------------+ 
 | Space group P 65 2 2  , space group number 179, Laue class 6/mmm, z= 12     | 
 +-----------------------------------------------------------------------------+ 
 | Non centrosymmetric space group                                             | 
 | Bravais translation primitive                                               | 
 +-----------------------------------------------------------------------------+ 
 | 12 equipoint transformations (X)'=[R]*(X)+(T) :                             | 
 +-----------------------------------------------------------------------------+ 
 | R(11) R(12) R(13) R(21) R(22) R(23) R(31) R(32) R(33)   T(1)   T(2)   T(3)  | 
 | 1.0   0.0   0.0   0.0   1.0   0.0   0.0   0.0   1.0    0.000  0.000  0.000  | 
 | 1.0  -1.0   0.0   1.0   0.0   0.0   0.0   0.0   1.0    0.000  0.000  0.833  | 
 | 0.0  -1.0   0.0   1.0  -1.0   0.0   0.0   0.0   1.0    0.000  0.000  0.667  | 
 |-1.0   0.0   0.0   0.0  -1.0   0.0   0.0   0.0   1.0    0.000  0.000  0.500  | 
 |-1.0   1.0   0.0  -1.0   0.0   0.0   0.0   0.0   1.0    0.000  0.000  0.333  | 
 | 0.0   1.0   0.0  -1.0   1.0   0.0   0.0   0.0   1.0    0.000  0.000  0.167  | 
 | 0.0   1.0   0.0   1.0   0.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.667  | 
 | 1.0   0.0   0.0   1.0  -1.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.833  | 
 | 1.0  -1.0   0.0   0.0  -1.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.000  | 
 | 0.0  -1.0   0.0  -1.0   0.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.167  | 
 |-1.0   0.0   0.0  -1.0   1.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.333  | 
 |-1.0   1.0   0.0   0.0   1.0   0.0   0.0   0.0  -1.0    0.000  0.000  0.500  | 
 +-----------------------------------------------------------------------------+ 
 | 12 equipoint transformations decoded into atom coordinate format :          | 
 +-----------------------------------------------------------------------------+ 
 |  X   ,  Y   ,  Z                                                            | 
 |  X -Y,  X   ,5/6 +Z                                                         | 
 | -Y   ,  X -Y,2/3 +Z                                                         | 
 | -X   , -Y   ,1/2 +Z                                                         | 
 | -X +Y, -X   ,1/3 +Z                                                         | 
 |  Y   , -X +Y,1/6 +Z                                                         | 
 |  Y   ,  X   ,2/3 -Z                                                         | 
 |  X   ,  X -Y,5/6 -Z                                                         | 
 |  X -Y, -Y   , -Z                                                            | 
 | -Y   , -X   ,1/6 -Z                                                         | 
 | -X   , -X +Y,1/3 -Z                                                         | 
 | -X +Y,  Y   ,1/2 -Z                                                         | 
 +-----------------------------------------------------------------------------+ 
 | 12 equipoints generated by point symmetry                                   | 
 | yielding the general position multiplicity of  12                           | 
 +-----------------------------------------------------------------------------+ 
 | Conditions limiting reflections due to Bravais centering                    | 
 +-----------------------------------------------------------------------------+ 
 | HKL : none                                                                  | 
 +-----------------------------------------------------------------------------+ 
 | Conditions limiting reflections due to space group symmetry                 | 
 +-----------------------------------------------------------------------------+ 
 | 00L : L=6N only                                                             | 
 +-----------------------------------------------------------------------------+ 
 | Asymmetric unit of intensity data for Laue group 6/mmm                      | 
 +-----------------------------------------------------------------------------+ 
 |  h :    0 to  inf                                                           | 
 |  k :    h to  inf                                                           | 
 |  l :    0 to  inf                                                           | 
 | No other exclusions                                                         | 
 | Coverage extends over 1/24 of reciprocal space                              | 
 +-----------------------------------------------------------------------------+ 

 Alternate listing of symmetry operators follows

      X,     Y,     Z                                                            
   X -Y,     X,5/6 +Z                                                            
     -Y,  X -Y,2/3 +Z                                                            
     -X,    -Y,1/2 +Z                                                            
  -X +Y,    -X,1/3 +Z                                                            
      Y, -X +Y,1/6 +Z                                                            
      Y,     X,2/3 -Z                                                            
      X,  X -Y,5/6 -Z                                                            
   X -Y,    -Y,    -Z                                                            
     -Y,    -X,1/6 -Z                                                            
     -X, -X +Y,1/3 -Z                                                            
  -X +Y,     Y,1/2 -Z                                                            
 </pre>
  <img src="../../images/bullet_green.gif"
 <p><a href="../xray/tutorial/spaceout.htm">
 Explanation of output</a>
 </p><hr>
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