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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050652
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.089
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.7639 6.978236   1  1  0    2   12.7734  6.973036    0.0095  0.005200
   17.5765 5.067140   0  2  1    2   17.5800  5.066125    0.0035  0.001015
   20.5141 4.344514   0  1  2    2   20.5216  4.342945    0.0075  0.001569
   21.7473 4.099847   3 -1  1    2   21.7539  4.098604    0.0066  0.001243
   22.1479 4.026289   3  0  0    2   22.1501  4.025884    0.0022  0.000405
   25.6203 3.486015   2  2  0    2   25.6166  3.486518   -0.0037 -0.000503
   27.4358 3.258567   1  2  2    2   27.4320  3.259014   -0.0038 -0.000447
   28.3708 3.152927   1  3  1    2   28.3805  3.151870    0.0097  0.001057
   31.6268 2.834444   1  1  3    2   31.6222  2.834850   -0.0046 -0.000405
   34.0704 2.636000   4  1  0    2   34.0762  2.635560    0.0058  0.000440
   38.9107 2.317756   2  2  3    2   38.9088  2.317865   -0.0019 -0.000109
   40.7612 2.216471   2  4  1    2   40.7550  2.216793   -0.0062 -0.000323
   42.2010 2.143959   5  0  2    2   42.2005  2.143982   -0.0005 -0.000022
   43.7132 2.073081   3 -1  4    2   43.7090  2.073270   -0.0042 -0.000188
   46.2222 1.966004  -1  6  2    2   46.2186  1.966151   -0.0036 -0.000147
   47.0335 1.933901   2  5  0    2   47.0317  1.933972   -0.0018 -0.000071
   49.0080 1.860360   6 -3  3    2   49.0103  1.860277    0.0023  0.000083
   49.9830 1.826266   3  4  2    2   49.9818  1.826306   -0.0012 -0.000040
   53.1746 1.723742   1  2  5    2   53.1708  1.723856   -0.0038 -0.000114
   54.3625 1.688786   6  0  3    2   54.3652  1.688708    0.0027  0.000077
   57.6569 1.599728   1  7  0    2   57.6570  1.599724    0.0001  0.000003
   59.6187 1.551606   0  0  6    2   59.6266  1.551419    0.0079  0.000187
   67.1421 1.394621   5  5  0    2   67.1429  1.394607    0.0008  0.000014
   68.7328 1.366131   6  3  3    2   68.7288  1.366201   -0.0040 -0.000070
   70.4481 1.336968   4  1  6    2   70.4474  1.336980   -0.0007 -0.000012
   75.9967 1.252436   7  4  0    2   75.9997  1.252394    0.0030  0.000042
   77.7266 1.228795   6  0  6    2   77.7258  1.228806   -0.0008 -0.000011
   83.1880 1.161345  -4 11  3    2   83.1867  1.161360   -0.0013 -0.000015
   84.5207 1.146379  10  1  0    2   84.5225  1.146360    0.0018  0.000019
   87.6095 1.113699   8 -1  6    2   87.6090  1.113705   -0.0005 -0.000006

 rmse = 0.00003836392
 
     A =    13.9460(2)         B =    13.9460(2)          C =     9.3085(2)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1567.88(4)