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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050075
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.019
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.4675 9.352347   1  0  0    2    9.4772  9.342764    0.0097  0.009583
   12.8589 6.888768   0 -1  1    2   12.8569  6.889855   -0.0020 -0.001086
   13.9395 6.356361   1  1  0    2   13.9422  6.355157    0.0027  0.001204
   15.9849 5.546362   1 -1  1    2   15.9886  5.545098    0.0037  0.001264
   17.7271 5.004425   1  1  1    2   17.7228  5.005624   -0.0043 -0.001199
   19.0003 4.671523   2  0  0    2   19.0009  4.671382    0.0006  0.000141
   20.5652 4.319117   0 -1  2    2   20.5618  4.319817   -0.0034 -0.000700
   21.9421 4.050866   2  1  0    2   21.9486  4.049676    0.0065  0.001190
   24.8624 3.580917   2  1  1    2   24.8605  3.581185   -0.0019 -0.000268
   27.5948 3.231989   2 -2  1    2   27.5929  3.232203   -0.0019 -0.000214
   28.0766 3.177576   2  2  0    2   28.0766  3.177578    0.0000 -0.000003
   30.5433 2.926180  -1 -1  3    2   30.5430  2.926205   -0.0003 -0.000025
   30.9865 2.885304   3  1  0    2   30.9845  2.885487   -0.0020 -0.000183
   33.3834 2.683300   3  1  1    2   33.3911  2.682697    0.0077  0.000603
   34.4257 2.604361   2 -3  1    2   34.4290  2.604120    0.0033  0.000241
   35.9091 2.500047   3  2  0    2   35.9116  2.499880    0.0025  0.000167
   43.3361 2.087051   4 -2  1    2   43.3285  2.087400   -0.0076 -0.000349
   53.1457 1.722496   0 -4  4    2   53.1468  1.722464    0.0011  0.000032

 rmse = 0.00003015310
 
     A =     9.3994(4)         B =     9.3994(4)          C =     9.3994(4)      
 Alpha =    94.2779(5)      Beta =    94.2779(5)      Gamma =    94.2779(5)      
 
 Volume =    823.13(10)