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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R040173
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.056
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.6710 4.762679   1  0  1    2   18.6752  4.761608    0.0042  0.001071
   28.7742 3.105995   1  1  2    2   28.7753  3.105875    0.0011  0.000120
   29.0850 3.073444   1  0  3    2   29.0930  3.072616    0.0080  0.000828
   31.4836 2.844128   0  0  4    2   31.4846  2.844036    0.0010  0.000092
   34.2241 2.622019   2  0  0    2   34.2313  2.621486    0.0072  0.000534
   39.2471 2.296754   2  1  1    2   39.2524  2.296457    0.0053  0.000296
   39.9788 2.256330   1  1  4    2   39.9750  2.256533   -0.0038 -0.000204
   43.3743 2.087007   1  0  5    2   43.3707  2.087173   -0.0036 -0.000166
   45.4982 1.994278   1  2  3    2   45.4981  1.994283   -0.0001 -0.000005
   47.1660 1.927490   2  0  4    2   47.1644  1.927553   -0.0016 -0.000062
   49.1620 1.853711   2  2  0    2   49.1632  1.853670    0.0012  0.000041
   53.0252 1.727254   3  0  1    2   53.0206  1.727392   -0.0046 -0.000138
   54.3576 1.687977   1  1  6    2   54.3543  1.688071   -0.0033 -0.000094
   56.3490 1.632894   1  2  5    2   56.3508  1.632847    0.0018  0.000047
   57.9427 1.591673   3  1  2    2   57.9403  1.591733   -0.0024 -0.000060
   59.5315 1.552890   2  2  4    2   59.5295  1.552938   -0.0020 -0.000048
   64.6137 1.442366   3  2  1    2   64.6118  1.442403   -0.0019 -0.000037
   65.6513 1.422039   0  0  8    2   65.6524  1.422018    0.0011  0.000021
   67.5762 1.386104   3  0  5    2   67.5833  1.385976    0.0071  0.000128
   69.1838 1.357743   2  3  3    2   69.1843  1.357734    0.0005  0.000009
   70.4962 1.335627   1  2  7    2   70.4922  1.335693   -0.0040 -0.000066
   72.0394 1.310742   4  0  0    2   72.0394  1.310743    0.0000 -0.000001
   75.1703 1.263683   1  4  1    2   75.1666  1.263737   -0.0037 -0.000054
   82.2012 1.172396   4  2  0    2   82.2039  1.172364    0.0027  0.000032
   86.1659 1.128287   2  2  8    2   86.1679  1.128267    0.0020  0.000021

 rmse = 0.00004038804
 
     A =     5.24297(7)        B =     5.24297(7)         C =    11.3761(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    312.715(9)