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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060944
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.019
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0474 8.016267   1  0  0    2   11.0518  8.013077    0.0044  0.003191
   19.3049 4.598552   0  0  2    2   19.3050  4.598529    0.0001  0.000022
   22.2880 3.988817   1  0  2    2   22.2902  3.988426    0.0022  0.000391
   27.3421 3.261367   1  1  2    2   27.3414  3.261443   -0.0007 -0.000076
   29.5628 3.021078   2  0  2    2   29.5655  3.020812    0.0027  0.000266
   31.0809 2.876799   2  1  1    2   31.0821  2.876693    0.0012  0.000106
   33.5429 2.670939   3  0  0    2   33.5418  2.671026   -0.0011 -0.000087
   35.4795 2.529381   2  1  2    2   35.4799  2.529357    0.0004  0.000025
   39.1699 2.299035   0  0  4    2   39.1658  2.299265   -0.0041 -0.000229
   40.5757 2.222529   3  1  0    2   40.5776  2.222428    0.0019  0.000101
   40.8116 2.210219   1  0  4    2   40.8142  2.210082    0.0026  0.000137
   41.7975 2.160311   3  1  1    2   41.7987  2.160251    0.0012  0.000060
   45.4505 1.994735   2  0  4    2   45.4630  1.994213    0.0125  0.000522
   50.7121 1.799345   3  1  3    2   50.7118  1.799355   -0.0003 -0.000010
   52.2933 1.748576   4  1  0    2   52.2927  1.748597   -0.0006 -0.000020
   52.4798 1.742798   3  0  4    2   52.4874  1.742564    0.0076  0.000234
   53.3047 1.717747   4  1  1    2   53.3021  1.717825   -0.0026 -0.000078
   56.3960 1.630668   2  2  4    2   56.3940  1.630722   -0.0020 -0.000054
   57.4903 1.602193   5  0  0    2   57.4737  1.602615   -0.0166 -0.000423
   58.5210 1.576396   3  2  3    2   58.5128  1.576598   -0.0082 -0.000201
   60.3606 1.532662   0  0  6    2   60.3528  1.532843   -0.0078 -0.000181
   60.9625 1.518959   4  1  3    2   60.9654  1.518895    0.0029  0.000064
   63.6022 1.462109   3  3  2    2   63.6029  1.462094    0.0007  0.000015
   63.9364 1.455267   1  1  6    2   63.9468  1.455055    0.0104  0.000212
   68.2317 1.373715   5  1  2    2   68.2441  1.373496    0.0124  0.000219
   68.5826 1.367537   2  1  6    2   68.5758  1.367656   -0.0068 -0.000119
   74.6441 1.270754   5  2  1    2   74.6402  1.270811   -0.0039 -0.000057
   79.0717 1.210314   4  3  3    2   79.0704  1.210331   -0.0013 -0.000017
   79.4663 1.205291   2  1  7    2   79.4628  1.205334   -0.0035 -0.000044
   84.7495 1.143101   4  3  4    2   84.7562  1.143028    0.0067  0.000073

 rmse = 0.00007697625
 
     A =9.2527(3)              B =9.2527(3)               C =9.1971(3)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 681.89(4)