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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040141
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.1615 6.282280   1  1  0    2   14.1685  6.279168    0.0070  0.003113
   20.0516 4.441189   2  0  0    2   20.0568  4.440042    0.0052  0.001147
   22.4396 3.972066   2  1  0    2   22.4440  3.971294    0.0044  0.000772
   24.6094 3.625461   2  1  1    2   24.6107  3.625279    0.0013  0.000182
   31.9163 2.808178   3  1  0    2   31.9169  2.808129    0.0006  0.000049
   35.0528 2.563208   2  2  2    2   35.0493  2.563459   -0.0035 -0.000252
   37.9544 2.373262   3  2  1    2   37.9537  2.373302   -0.0007 -0.000040
   40.6725 2.220414   4  0  0    2   40.6800  2.220021    0.0075  0.000393
   43.2617 2.093097   4  1  1    2   43.2626  2.093056    0.0009  0.000041
   45.7259 1.985677   4  2  0    2   45.7266  1.985647    0.0007  0.000029
   48.0933 1.893158   3  3  2    2   48.0911  1.893240   -0.0022 -0.000082
   50.3714 1.812619   4  2  2    2   50.3708  1.812640   -0.0006 -0.000021
   52.5850 1.741296   4  3  1    2   52.5775  1.741528   -0.0075 -0.000232
   56.8098 1.621243   5  2  1    2   56.8086  1.621274   -0.0012 -0.000031
   58.8466 1.569818   4  4  0    2   58.8477  1.569792    0.0011  0.000026
   60.8429 1.522938   5  3  0    2   60.8436  1.522922    0.0007  0.000016
   62.7998 1.480047   6  0  0    2   62.8014  1.480014    0.0016  0.000033
   64.7262 1.440520   5  3  2    2   64.7252  1.440540   -0.0010 -0.000019
   68.4840 1.370259   5  4  1    2   68.4858  1.370227    0.0018  0.000032
   70.3272 1.338752   6  2  2    2   70.3290  1.338723    0.0018  0.000029
   72.1515 1.309290   6  3  1    2   72.1511  1.309297   -0.0004 -0.000007
   73.9611 1.281633   4  4  4    2   73.9546  1.281730   -0.0065 -0.000097
   79.2790 1.208387   7  2  1    2   79.2759  1.208426   -0.0031 -0.000039
   82.7632 1.166077   7  3  0    2   82.7688  1.166012    0.0056  0.000065
   86.2299 1.127821   6  5  1    2   86.2346  1.127772    0.0047  0.000050
   89.6895 1.093033   7  4  1    2   89.6864  1.093063   -0.0031 -0.000030

 rmse = 0.00004150802
 
     A =     8.88008(8)        B =     8.88008(8)         C =     8.88008(8)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    700.24(2)