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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050128
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.027
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.0761 3.855523   0  1  2    2   23.0764  3.855477    0.0003  0.000047
   29.4193 3.036290   1  0  4    2   29.4179  3.036433   -0.0014 -0.000144
   31.4460 2.844899   0  0  6    2   31.4467  2.844841    0.0007  0.000058
   35.9972 2.494690   1  1  0    2   35.9916  2.495068   -0.0056 -0.000379
   39.4283 2.284991   1  1  3    2   39.4279  2.285014   -0.0004 -0.000023
   43.1791 2.094666   2  0  2    2   43.1784  2.094699   -0.0007 -0.000032
   47.5102 1.913213   0  1  8    2   47.5115  1.913163    0.0013  0.000051
   48.5129 1.875964   1  1  6    2   48.5168  1.875823    0.0039  0.000142
   57.4159 1.604293   1  2  2    2   57.4161  1.604288    0.0002  0.000006
   64.6762 1.440548   3  0  0    2   64.6772  1.440528    0.0010  0.000019
   77.1500 1.235706   1  1 12    2   77.1491  1.235717   -0.0009 -0.000012
   81.5207 1.180115   2  1 10    2   81.5202  1.180120   -0.0005 -0.000006

 rmse = 0.00002234608
 
     A =     4.99013(8)        B =     4.99013(8)         C =    17.0690(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    368.09(1)