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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050660
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.1279 8.792773   1  0  1    2   10.1434  8.779268    0.0155  0.013505
   15.9625 5.574105   1  1  0    2   15.9768  5.569117    0.0143  0.004988
   18.9203 4.705318   0  2  1    2   18.9307  4.702737    0.0104  0.002582
   22.9736 3.880720   0  1  5    2   22.9765  3.880229    0.0029  0.000491
   25.8891 3.448630   1  2  2    2   25.8980  3.447466    0.0089  0.001164
   28.0795 3.183656   2  0  5    2   28.0793  3.183675   -0.0002 -0.000019
   30.5899 2.927208   3  0  3    2   30.5983  2.926423    0.0084  0.000785
   39.8870 2.262425   3  1  5    2   39.8892  2.262307    0.0022  0.000118
   42.2190 2.142467   1  2  8    2   42.2080  2.143001   -0.0110 -0.000533
   43.0175 2.104459   4  1  0    2   43.0074  2.104928   -0.0101 -0.000470
   46.8657 1.939949   0  2 10    2   46.8615  1.940115   -0.0042 -0.000166
   49.1049 1.856457   3  3  0    2   49.1073  1.856372    0.0024  0.000085
   76.5282 1.244871   2  1 16    2   76.5291  1.244858    0.0009  0.000012
   82.1646 1.173064   4  1 15    2   82.1666  1.173041    0.0020  0.000023

 rmse = 0.00005836713
 
     A =    11.1382(8)         B =    11.1382(8)          C =    21.1913(9)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   2276.7(3)