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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060006
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.003
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.1337 7.286700   0  0  1    2   12.1560  7.273403    0.0223  0.013297
   19.2642 4.603014   1  0  0    2   19.2250  4.612299   -0.0392 -0.009285
   22.8036 3.896022   1  0  1    2   22.8088  3.895151    0.0052  0.000871
   24.4261 3.640806   0  0  2    2   24.4541  3.636702    0.0280  0.004104
   35.8810 2.500506   2 -1  1    2   35.8798  2.500590   -0.0012 -0.000084
   42.0185 2.148388   2 -1  2    2   42.0159  2.148513   -0.0026 -0.000125
   50.8968 1.792527   2 -1  3    2   50.8903  1.792741   -0.0065 -0.000214
   60.1279 1.537532   3  0  0    2   60.1322  1.537433    0.0043  0.000099

 rmse = 0.00011541052
 
     A =5.3258(7)              B =5.3258(7)               C =7.273(2)            
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 178.67(6)