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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050371
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.019
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    7.429211.920223   1  0  0    2    7.4362 11.909047    0.0070  0.011176
   11.5151 7.691062   1  0  1    2   11.5182  7.688991    0.0031  0.002071
   12.8763 6.879696   1  1  0    2   12.8838  6.875692    0.0075  0.004005
   17.3009 5.126985   2  0  1    2   17.3065  5.125352    0.0056  0.001634
   17.6234 5.033781   0  0  2    2   17.6211  5.034437   -0.0023 -0.000656
   19.1467 4.636192   1  0  2    2   19.1429  4.637111   -0.0038 -0.000919
   19.7177 4.503073   2  1  0    2   19.7260  4.501197    0.0083  0.001876
   21.6259 4.109502   2  1  1    2   21.6271  4.109276    0.0012  0.000225
   26.9910 3.303002   3  1  0    2   26.9912  3.302975    0.0002  0.000027
   27.6138 3.229853   1  0  3    2   27.6086  3.230451   -0.0052 -0.000598
   30.0026 2.977744   4  0  0    2   30.0076  2.977262    0.0050  0.000482
   30.5658 2.924113   2  0  3    2   30.5690  2.923819    0.0032  0.000294
   31.3196 2.855390   4  0  1    2   31.3233  2.855064    0.0037  0.000325
   33.2922 2.690477   2  1  3    2   33.2900  2.690648   -0.0022 -0.000172
   34.4856 2.600001   4  1  0    2   34.5025  2.598767    0.0169  0.001234
   43.3574 2.086092   3  3  2    2   43.3612  2.085917    0.0038  0.000175
   46.7505 1.942222   5  0  3    2   46.7459  1.942403   -0.0046 -0.000181
   47.6762 1.906633   5  2  0    2   47.6672  1.906974   -0.0090 -0.000341
   50.4626 1.807653   4  1  4    2   50.4497  1.808085   -0.0129 -0.000432
   51.0797 1.787245   6  1  1    2   51.0789  1.787273   -0.0008 -0.000027
   53.2712 1.718744   4  4  0    2   53.2652  1.718923   -0.0060 -0.000179
   55.6096 1.651855   6  2  0    2   55.6230  1.651488    0.0134  0.000367
   56.4283 1.629807   6  2  1    2   56.4319  1.629712    0.0036  0.000095
   57.6963 1.596956   6  1  3    2   57.6840  1.597268   -0.0123 -0.000312
   60.7108 1.524651   5  4  0    2   60.7044  1.524797   -0.0064 -0.000146
   62.6569 1.481878   6  2  3    2   62.6600  1.481813    0.0031  0.000065
   63.0960 1.472615   8  0  1    2   63.0956  1.472624   -0.0004 -0.000008
   66.2514 1.409899   4  1  6    2   66.2586  1.409764    0.0072  0.000135
   67.4191 1.388284   5  4  3    2   67.4211  1.388247    0.0020  0.000037
   76.5051 1.244401   7  3  3    2   76.5067  1.244378    0.0016  0.000023

 rmse = 0.00007036645
 
     A =    13.7513(4)         B =    13.7513(4)          C =    10.0688(8)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1648.9(1)