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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040114
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.051
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   32.6761 2.742437   1  0  4    2   32.6771  2.742352    0.0010  0.000084
   35.8836 2.503960   0  0  6    2   35.8859  2.503808    0.0023  0.000152
   38.8816 2.317256   1  1  0    2   38.8810  2.317294   -0.0006 -0.000037
   43.0262 2.102883   1  1  3    2   43.0229  2.103035   -0.0033 -0.000152
   46.8653 1.938983   2  0  2    2   46.8692  1.938831    0.0039  0.000153
   51.6470 1.769957   0  2  4    2   51.6458  1.769995   -0.0012 -0.000038
   61.4240 1.509354   2  1  1    2   61.4242  1.509349    0.0002  0.000005
   62.4563 1.486844   1  2  2    2   62.4489  1.487001   -0.0074 -0.000158
   66.4637 1.406510   2  1  4    2   66.4584  1.406610   -0.0053 -0.000100
   70.3475 1.338009   3  0  0    2   70.3546  1.337890    0.0071  0.000119
   75.9927 1.251963   0  0 12    2   75.9969  1.251904    0.0042  0.000059
   76.9467 1.238792   2  1  7    2   76.9472  1.238785    0.0005  0.000007
   81.5444 1.180120   1  2  8    2   81.5489  1.180065    0.0045  0.000054
   88.8047 1.101388   1  1 12    2   88.7989  1.101445   -0.0058 -0.000057

 rmse = 0.00005977670
 
     A =     4.6345(1)         B =     4.6345(1)          C =    15.0228(5)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    279.45(1)