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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070285
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.4667 5.729841   1  1  1    2   15.4722  5.727813    0.0055  0.002028
   21.9319 4.052041   2  1  1    2   21.9421  4.050175    0.0102  0.001866
   26.9561 3.306701   2  2  1    2   26.9540  3.306954   -0.0021 -0.000254
   28.4389 3.137479   3  0  1    2   28.4410  3.137252    0.0021  0.000227
   29.8572 2.991515   3  1  1    2   29.8599  2.991253    0.0027  0.000262
   32.5271 2.751688   3  2  0    2   32.5287  2.751552    0.0016  0.000136
   33.7917 2.651500   3  1  2    2   33.7922  2.651462    0.0005  0.000038
   37.3595 2.405969   3  2  2    2   37.3564  2.406163   -0.0031 -0.000194
   39.5798 2.275916   3  3  1    2   39.5782  2.276002   -0.0016 -0.000086
   41.7037 2.164742   4  1  2    2   41.7003  2.164910   -0.0034 -0.000168
   42.7274 2.115198   3  3  2    2   42.7287  2.115135    0.0013  0.000063
   44.7280 2.025093   4  2  2    2   44.7281  2.025088    0.0001  0.000005
   46.6605 1.945596   4  1  3    2   46.6593  1.945641   -0.0012 -0.000046
   49.4446 1.842329   5  2  0    2   49.4466  1.842258    0.0020  0.000071
   52.9941 1.726954   4  4  1    2   52.9926  1.727001   -0.0015 -0.000047
   53.8575 1.701281   5  3  0    2   53.8529  1.701414   -0.0046 -0.000133
   57.2089 1.609295   5  3  2    2   57.2057  1.609376   -0.0032 -0.000082
   58.8296 1.568753   6  0  2    2   58.8348  1.568626    0.0052  0.000127
   60.4301 1.530967   5  4  1    2   60.4364  1.530822    0.0063  0.000144
   62.8010 1.478735   6  3  0    2   62.7925  1.478915   -0.0085 -0.000180
   63.5705 1.462673   6  1  3    2   63.5667  1.462751   -0.0038 -0.000079
   65.8536 1.417372   6  2  3    2   65.8591  1.417266    0.0055  0.000106
   69.5995 1.349943   7  1  2    2   69.5927  1.350058   -0.0068 -0.000115
   71.0545 1.325822   6  2  4    2   71.0601  1.325731    0.0056  0.000091
   73.2336 1.291648   7  1  3    2   73.2377  1.291586    0.0041  0.000062
   83.8275 1.153264   7  4  3    2   83.8264  1.153277   -0.0011 -0.000013

 rmse = 0.00004980749
 
     A =9.9209(1)              B =9.9209(1)               C =9.9209(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 976.45(4)