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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050262
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.043
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.8786 3.582095   0  1  2    2   24.8942  3.579887    0.0156  0.002208
   32.2196 2.779632   1  0  4    2   32.2019  2.781119   -0.0177 -0.001487
   38.4988 2.338975   1  1  0    2   38.5034  2.338703    0.0046  0.000272
   42.5416 2.125356   1  1  3    2   42.5311  2.125855   -0.0105 -0.000499
   46.3595 1.958657   2  0  2    2   46.3779  1.957922    0.0184  0.000735
   61.8034 1.500812   1  2  2    2   61.7825  1.501271   -0.0209 -0.000459
   65.6570 1.421684   2  1  4    2   65.6713  1.421409    0.0143  0.000275

 rmse = 0.00019477570
 
     A =4.6774(9)              B =4.6774(9)               C =15.30(2)            
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 289.9(0)