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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050352
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.107510.926491   1  0  0    2    8.1093 10.924129    0.0018  0.002362
   14.0487 6.308788   1  1  0    2   14.0526  6.307049    0.0039  0.001739
   16.2267 5.465399   2  0  0    2   16.2367  5.462065    0.0100  0.003334
   19.1306 4.640857   1  0  1    2   19.1339  4.640067    0.0033  0.000790
   21.5295 4.128327   2  1  0    2   21.5263  4.128933   -0.0032 -0.000605
   23.8163 3.736481   2  0  1    2   23.8093  3.737559   -0.0070 -0.001078
   24.4459 3.641567   3  0  0    2   24.4472  3.641376    0.0013  0.000190
   27.7432 3.215447   1  2  1    2   27.7438  3.215379    0.0006  0.000067
   29.4757 3.030130   1  3  0    2   29.4789  3.029808    0.0032  0.000322
   30.0993 2.968710   3  0  1    2   30.1017  2.968475    0.0024  0.000235
   32.7841 2.731297   4  0  0    2   32.7874  2.731032    0.0033  0.000265
   34.3808 2.607934   1  3  1    2   34.3774  2.608183   -0.0034 -0.000249
   35.0144 2.562149   0  0  2    2   35.0067  2.562698   -0.0077 -0.000549
   37.2985 2.410231   4  0  1    2   37.2986  2.410225    0.0001  0.000006
   40.0405 2.251178   3  2  1    2   40.0358  2.251429   -0.0047 -0.000251
   41.3057 2.185062   5  0  0    2   41.3104  2.184826    0.0047  0.000236
   41.7764 2.161511   4  1  1    2   41.7768  2.161489    0.0004  0.000022
   45.0952 2.009762   5  0  1    2   45.0934  2.009840   -0.0018 -0.000077
   48.7068 1.868775   4  0  2    2   48.7067  1.868779   -0.0001 -0.000004
   54.0831 1.694930   4  3  1    2   54.0848  1.694881    0.0017  0.000049
   55.4805 1.655485   2  5  1    2   55.4800  1.655499   -0.0005 -0.000014
   59.1769 1.560549   5  3  0    2   59.1752  1.560590   -0.0017 -0.000040
   66.1592 1.411704   3  2  3    2   66.1617  1.411656    0.0025  0.000048
   70.0190 1.343002   4  4  2    2   70.0234  1.342929    0.0044  0.000073
   71.4606 1.319400   8  0  1    2   71.4550  1.319490   -0.0056 -0.000089
   75.3919 1.260038   1  7  2    2   75.3963  1.259974    0.0044  0.000063
   83.9291 1.152210   7  0  3    2   83.9262  1.152242   -0.0029 -0.000032

 rmse = 0.00003618185
 
     A =    12.6140(2)         B =    12.6140(2)          C =     5.1253(2)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    706.26(2)