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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070279
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.108
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   38.2927 2.354937   1  1  1    2   38.2892  2.355144   -0.0035 -0.000207
   44.4762 2.040025   2  0  0    2   44.4856  2.039615    0.0094  0.000410
   64.6825 1.442030   2  2  0    2   64.6727  1.442225   -0.0098 -0.000196
   77.6521 1.230041   3  1  1    2   77.6601  1.229934    0.0080  0.000107
   81.8178 1.177537   2  2  2    2   81.8149  1.177572   -0.0029 -0.000035

 rmse = 0.00010308711
 
     A =4.0792(2)              B =4.0792(2)               C =4.0792(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 67.879(9)