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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061100
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.1454 5.496675   1  1  0    2   16.1561  5.493053    0.0107  0.003623
   17.6757 5.023172   0  0  1    2   17.6799  5.021994    0.0042  0.001178
   21.0755 4.218598   1  0  1    2   21.0813  4.217451    0.0058  0.001147
   22.9030 3.885448   2  0  0    2   22.9106  3.884175    0.0076  0.001274
   24.0189 3.707144   1  1  1    2   24.0234  3.706452    0.0045  0.000692
   25.6492 3.474775   2  1  0    2   25.6542  3.474112    0.0050  0.000664
   29.0661 3.073118   2  0  1    2   29.0726  3.072440    0.0065  0.000678
   31.3138 2.857225   2  1  1    2   31.3153  2.857094    0.0015  0.000132
   32.6005 2.747215   2  2  0    2   32.6089  2.746526    0.0084  0.000688
   35.7590 2.511236   0  0  2    2   35.7625  2.510997    0.0035  0.000239
   36.5866 2.456255   3  1  0    2   36.5818  2.456568   -0.0048 -0.000313
   37.3296 2.409010   2  2  1    2   37.3186  2.409698   -0.0110 -0.000688
   37.6490 2.389285   1  0  2    2   37.6491  2.389281    0.0001  0.000005
   39.1506 2.300954   3  0  1    2   39.1407  2.301514   -0.0099 -0.000560
   39.4524 2.284030   1  1  2    2   39.4582  2.283705    0.0058  0.000324
   44.5185 2.034962   2  1  2    2   44.5158  2.035080   -0.0027 -0.000118
   45.8224 1.980000   3  2  1    2   45.8219  1.980022   -0.0005 -0.000022
   46.7678 1.942125   4  0  0    2   46.7687  1.942087    0.0009  0.000037
   49.1557 1.853154   2  2  2    2   49.1537  1.853226   -0.0020 -0.000072
   49.7985 1.830712   3  3  0    2   49.7896  1.831018   -0.0089 -0.000306
   52.0746 1.755868   3  1  2    2   52.0709  1.755983   -0.0037 -0.000115
   52.6785 1.737139   4  2  0    2   52.6812  1.737056    0.0027  0.000083
   53.2305 1.720407   3  3  1    2   53.2359  1.720245    0.0054  0.000162
   57.5397 1.601308   1  1  3    2   57.5403  1.601292    0.0006  0.000016
   61.4725 1.507895   2  1  3    2   61.4652  1.508058   -0.0073 -0.000163
   63.8135 1.458074   5  1  1    2   63.8225  1.457890    0.0090  0.000185
   73.0573 1.294620   6  0  0    2   73.0504  1.294725   -0.0069 -0.000105
   76.0123 1.251447   4  1  3    2   76.0148  1.251412    0.0025  0.000035
   86.2871 1.126781   5  1  3    2   86.2916  1.126734    0.0045  0.000047
   87.1384 1.117945   3  1  4    2   87.1375  1.117954   -0.0009 -0.000009

 rmse = 0.00005791048
 
     A =7.7684(2)              B =7.7684(2)               C =5.0220(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 303.06(1)