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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050527
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3235 5.123573   1  1  0    2   17.3279  5.122275    0.0044  0.001299
   20.0247 4.437073   2  0  0    2   20.0295  4.436020    0.0048  0.001053
   21.0593 4.221054   1  1  1    2   21.0658  4.219770    0.0065  0.001284
   23.3568 3.810249   2  0  1    2   23.3540  3.810699   -0.0028 -0.000450
   23.9157 3.722343   0  0  2    2   23.9180  3.721997    0.0023  0.000346
   25.9744 3.431450   1  0  2    2   25.9686  3.432203   -0.0058 -0.000753
   26.5845 3.353979   1  2  0    2   26.5898  3.353316    0.0053  0.000663
   29.2123 3.057660   1  2  1    2   29.2146  3.057420    0.0023  0.000241
   29.6789 3.010593   1  1  2    2   29.6745  3.011034   -0.0044 -0.000441
   30.2201 2.957845   3  0  0    2   30.2253  2.957347    0.0052  0.000499
   38.5206 2.336934   3  1  1    2   38.5310  2.336327    0.0104  0.000607
   38.8710 2.316654   3  0  2    2   38.8923  2.315432    0.0213  0.001222
   40.6731 2.217996   4  0  0    2   40.6728  2.218010   -0.0003 -0.000014
   42.8614 2.109605   2  2  2    2   42.8554  2.109885   -0.0060 -0.000280
   44.1168 2.052400   1  3  2    2   44.1114  2.052640   -0.0054 -0.000240
   45.4750 1.994168   2  1  3    2   45.4638  1.994633   -0.0112 -0.000465
   46.2317 1.963253   2  3  1    2   46.2301  1.963317   -0.0016 -0.000065
   46.9121 1.936333   1  4  0    2   46.9197  1.936038    0.0076  0.000295
   47.7293 1.905049   4  0  2    2   47.7213  1.905349   -0.0080 -0.000301
   48.9246 1.861235   0  0  4    2   48.9312  1.860999    0.0066  0.000237
   54.7390 1.676371   4  2  0    2   54.7288  1.676658   -0.0102 -0.000287
   55.1744 1.664160   3  3  1    2   55.1727  1.664209   -0.0017 -0.000048
   56.5248 1.627543   1  2  4    2   56.5375  1.627208    0.0127  0.000335
   57.5381 1.601251   5  0  2    2   57.5203  1.601704   -0.0178 -0.000453
   67.0368 1.395474   2  5  1    2   67.0366  1.395477   -0.0002 -0.000003
   73.9891 1.280539   4  4  0    2   73.9871  1.280569   -0.0020 -0.000030
   81.9324 1.175257   7  1  0    2   81.9431  1.175130    0.0107  0.000127
   87.2731 1.116526   2  2  6    2   87.2701  1.116556   -0.0030 -0.000030

 rmse = 0.00009013556
 
     A =10.2446(3)             B =10.2446(3)              C =7.4440(4)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 676.59(5)