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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060942
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.031
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.0344 8.034485   1  0  0    2   11.0538  8.020419    0.0194  0.014065
   19.3085 4.600556   0  0  2    2   19.3141  4.599238    0.0056  0.001317
   22.2887 3.990831   1  0  2    2   22.2946  3.989794    0.0059  0.001038
   27.3363 3.263463   1  1  2    2   27.3387  3.263181    0.0024  0.000281
   29.5524 3.023328   2  0  2    2   29.5598  3.022586    0.0074  0.000742
   31.0719 2.878705   2  1  1    2   31.0674  2.879114   -0.0045 -0.000409
   33.5149 2.674044   3  0  0    2   33.5223  2.673473    0.0074  0.000571
   35.4690 2.530941   2  1  2    2   35.4668  2.531091   -0.0022 -0.000150
   39.1762 2.299362   0  0  4    2   39.1716  2.299619   -0.0046 -0.000258
   40.5580 2.224093   3  1  0    2   40.5509  2.224464   -0.0071 -0.000371
   40.8182 2.210503   1  0  4    2   40.8173  2.210550   -0.0009 -0.000047
   41.7758 2.161982   3  1  1    2   41.7726  2.162140   -0.0032 -0.000158
   45.4541 1.995088   2  0  4    2   45.4587  1.994897    0.0046  0.000191
   50.6860 1.800611   3  1  3    2   50.6884  1.800531    0.0024  0.000080
   52.2490 1.750332   4  1  0    2   52.2533  1.750199    0.0043  0.000133
   52.4740 1.743351   3  0  4    2   52.4725  1.743398   -0.0015 -0.000047
   53.2610 1.719415   4  1  1    2   53.2631  1.719353    0.0021  0.000062
   56.3716 1.631637   2  2  4    2   56.3734  1.631591    0.0018  0.000047
   58.4841 1.577601   3  2  3    2   58.4791  1.577724   -0.0050 -0.000124
   60.3564 1.533037   0  0  6    2   60.3546  1.533079   -0.0018 -0.000042
   60.9283 1.520003   4  1  3    2   60.9283  1.520002    0.0000  0.000000
   63.5648 1.463128   3  3  2    2   63.5554  1.463321   -0.0094 -0.000193
   63.9404 1.455432   1  1  6    2   63.9425  1.455389    0.0021  0.000043
   64.7398 1.439369   4  2  2    2   64.7303  1.439557   -0.0095 -0.000188
   68.1877 1.374708   5  1  2    2   68.1904  1.374661    0.0027  0.000047
   68.5579 1.368182   2  1  6    2   68.5637  1.368079    0.0058  0.000102
   74.5682 1.272036   5  2  1    2   74.5736  1.271957    0.0054  0.000079
   79.0033 1.211345   4  3  3    2   79.0071  1.211296    0.0038  0.000049
   79.4529 1.205613   2  1  7    2   79.4488  1.205666   -0.0041 -0.000053
   86.8118 1.121284   5  2  4    2   86.8122  1.121280    0.0004  0.000004

 rmse = 0.00005475047
 
     A =9.2612(2)              B =9.2612(2)               C =9.1985(2)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 683.25(3)