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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050529
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.006
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.9226 8.088738   1  0  0    2   10.9244  8.087398    0.0018  0.001340
   16.8759 5.247385   1  0  1    2   16.8788  5.246482    0.0029  0.000903
   21.9607 4.042897   2  0  0    2   21.9563  4.043699   -0.0044 -0.000802
   22.9865 3.864796   1  1  1    2   22.9793  3.865990   -0.0072 -0.001194
   25.8191 3.446959   0  0  2    2   25.8189  3.446986   -0.0002 -0.000027
   28.1030 3.171865   1  0  2    2   28.1110  3.170977    0.0080  0.000888
   29.1825 3.056968   1  2  0    2   29.1846  3.056749    0.0021  0.000219
   31.9951 2.794419   2  1  1    2   31.9956  2.794380    0.0005  0.000039
   33.2005 2.695685   3  0  0    2   33.1991  2.695799   -0.0014 -0.000114
   34.1466 2.623143   2  0  2    2   34.1453  2.623241   -0.0013 -0.000098
   35.7341 2.510184   3  0  1    2   35.7269  2.510671   -0.0072 -0.000487
   39.3498 2.287498   1  2  2    2   39.3583  2.287026    0.0085  0.000472
   40.1593 2.243242   1  3  0    2   40.1631  2.243041    0.0038  0.000202
   43.8655 2.061947   1  1  3    2   43.8684  2.061816    0.0029  0.000131
   45.3385 1.998331   2  0  3    2   45.3486  1.997911    0.0101  0.000420
   46.9612 1.933002   2  2  2    2   46.9614  1.932995    0.0002  0.000007
   48.3669 1.880062   3  1  2    2   48.3675  1.880040    0.0006  0.000023
   49.5837 1.836742   2  1  3    2   49.5813  1.836825   -0.0024 -0.000083
   50.9245 1.791490   2  3  1    2   50.9204  1.791626   -0.0041 -0.000135
   51.7551 1.764678   4  1  0    2   51.7508  1.764815   -0.0043 -0.000137
   53.0873 1.723496   0  0  4    2   53.0874  1.723493    0.0001  0.000003
   56.2537 1.633771   3  2  2    2   56.2548  1.633742    0.0011  0.000029
   63.4783 1.464134   5  0  2    2   63.4711  1.464283   -0.0072 -0.000149
   65.6289 1.421269   5  1  1    2   65.6256  1.421333   -0.0033 -0.000064
   75.5920 1.256789   2  1  5    2   75.5877  1.256851   -0.0043 -0.000061
   78.8830 1.212405   2  5  2    2   78.8922  1.212287    0.0092  0.000118

 rmse = 0.00005294652
 
     A =     9.3385(2)         B =     9.3385(2)          C =     6.8939(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    520.66(3)