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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070375
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
 Number of iterations =  20

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.4921 3.955638   1  1  1    2   22.5005  3.954173    0.0084  0.001465
   27.1895 3.281102   1  1  0    2   27.1938  3.280594    0.0043  0.000508
   37.9827 2.369052   2  1  1    2   37.9845  2.368943    0.0018  0.000109
   39.6457 2.273340   0 -1  1    2   39.6435  2.273463   -0.0022 -0.000123
   44.5788 2.032357   2  2  1    2   44.5834  2.032159    0.0046  0.000198
   48.7261 1.868503   2  0  0    2   48.7230  1.868615   -0.0031 -0.000112
   56.0509 1.640291   2  2  0    2   56.0507  1.640297   -0.0002 -0.000006
   59.3552 1.556565   3  2  2    2   59.3530  1.556616   -0.0022 -0.000051
   62.2012 1.491964   3  2  1    2   62.2057  1.491868    0.0045  0.000096
   64.5352 1.443496   2 -1  1    2   64.5312  1.443577   -0.0040 -0.000081
   67.4670 1.387687   3  3  2    2   67.4670  1.387688    0.0000 -0.000001
   70.8078 1.330150   3  1  0    2   70.8040  1.330212   -0.0038 -0.000062
   71.9004 1.312591   1 -2  1    2   71.9008  1.312584    0.0004  0.000006
   73.7354 1.284379   3  3  1    2   73.7340  1.284400   -0.0014 -0.000021
   85.3488 1.136759   0 -2  2    2   85.3513  1.136731    0.0025  0.000027
   89.5947 1.093544   3  3  0    2   89.5960  1.093531    0.0013  0.000013

 rmse = 0.00003698340
 
     A =4.74626(8)             B =4.74626(8)              C =4.74626(8)          
 Alpha =57.240(1)           Beta =57.240(1)           Gamma =57.240(1)           
 
 Volume = 70.798(2)