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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040170
 
 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
   23.0916 3.852893   0  1  2    2   23.0949  3.852341    0.0033  0.000552
   29.4146 3.036719   1  0  4    2   29.4130  3.036882   -0.0016 -0.000163
   31.3954 2.849332   0  0  6    2   31.3908  2.849744   -0.0046 -0.000412
   36.0498 2.491137   1  1  0    2   36.0455  2.491424   -0.0043 -0.000287
   39.4650 2.282924   1  1  3    2   39.4664  2.282845    0.0014  0.000079
   43.2344 2.092092   2  0  2    2   43.2356  2.092039    0.0012  0.000053
   47.4519 1.915412   0  1  8    2   47.4558  1.915262    0.0039  0.000150
   48.5227 1.875592   1  1  6    2   48.5205  1.875673   -0.0022 -0.000081
   56.6712 1.623593   2  1  1    2   56.6690  1.623650   -0.0022 -0.000057
   57.5023 1.602075   1  2  2    2   57.5004  1.602124   -0.0019 -0.000049
   64.7772 1.438536   3  0  0    2   64.7828  1.438424    0.0056  0.000111
   65.4750 1.424877   0  0 12    2   65.4752  1.424872    0.0002  0.000005
   69.2258 1.356517   2  1  7    2   69.2312  1.356425    0.0054  0.000092
   72.9248 1.296534   1  2  8    2   72.9201  1.296606   -0.0047 -0.000071
   83.9075 1.152499   1  3  4    2   83.9058  1.152519   -0.0017 -0.000020

 rmse = 0.00004221053
 
     A =     4.98284(9)        B =     4.98284(9)         C =    17.0984(6)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    367.65(2)