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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070019
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5596 4.269115   0  0  1    2    9.5291  4.282792   -0.0305 -0.013677
   11.4448 3.565872   1  0  1    2   11.4613  3.560727    0.0165  0.005145
   14.2484 2.865388   2  1  0    2   14.2466  2.865741   -0.0018 -0.000353
   15.8979 2.569154   2  0  1    2   15.9205  2.565523    0.0226  0.003631
   17.1330 2.384861   2  1  1    2   17.1557  2.381730    0.0227  0.003131
   18.0434 2.265254   2  2  0    2   18.0409  2.265567   -0.0025 -0.000313
   19.1221 2.138359   0  0  2    2   19.0948  2.141396   -0.0273 -0.003037
   22.3437 1.832741   3  1  1    2   22.3565  1.831702    0.0128  0.001039
   23.8879 1.715676   2  1  2    2   23.8920  1.715387    0.0041  0.000289
   24.9823 1.641545   3  2  1    2   24.9825  1.641529    0.0002  0.000016
   28.1554 1.459477   4  1  1    2   28.1265  1.460947   -0.0289 -0.001470
   33.4134 1.234690   3  3  2    2   33.4255  1.234255    0.0121  0.000435

 rmse = 0.00046835712
 
     A =6.408(2)               B =6.408(2)                C =4.283(3)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 175.9(1)