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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060445
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.1495 2.873565   4  0  0    2   31.1499  2.873532    0.0004  0.000034
   34.9305 2.570226   4  2  0    2   34.9314  2.570165    0.0009  0.000062
   36.6939 2.450479   3  3  2    2   36.6927  2.450556   -0.0012 -0.000077
   38.3830 2.346291   4  2  2    2   38.3840  2.346229    0.0010  0.000062
   40.0129 2.254268   4  3  1    2   40.0145  2.254184    0.0016  0.000085
   43.1219 2.098469   5  2  1    2   43.1206  2.098531   -0.0013 -0.000062
   48.8557 1.864485   6  1  1    2   48.8527  1.864594   -0.0030 -0.000108
   55.3819 1.659016   4  4  4    2   55.3813  1.659034   -0.0006 -0.000018
   57.8480 1.593955   6  4  0    2   57.8483  1.593949    0.0003  0.000007
   60.2506 1.535955   6  4  2    2   60.2501  1.535967   -0.0005 -0.000012
   64.8900 1.436807   8  0  0    2   64.8921  1.436766    0.0021  0.000041
   73.7029 1.285132   8  4  0    2   73.7062  1.285082    0.0033  0.000050
   75.8362 1.254170   8  4  2    2   75.8403  1.254112    0.0041  0.000058
   77.9614 1.225186   6  6  4    2   77.9545  1.225278   -0.0069 -0.000092

 rmse = 0.00003751356
 
     A =    11.4941(1)         B =    11.4941(1)          C =    11.4941(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1518.54(6)