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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 Xray-2970-Empressite
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.148
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.922210.070175   0  2  0    2    8.9307 10.060469    0.0085  0.009705
   20.4019 4.380913   1  4  0    2   20.4090  4.379399    0.0071  0.001513
   22.2539 4.017888   1  1  1    2   22.2533  4.018000   -0.0006 -0.000113
   23.5055 3.805342   0  3  1    2   23.5097  3.804670    0.0042  0.000672
   26.8652 3.333946   2  4  0    2   26.8699  3.333368    0.0047  0.000579
   28.1951 3.178808   1  4  1    2   28.1993  3.178340    0.0042  0.000468
   31.0518 2.891161   2  3  1    2   31.0419  2.892062   -0.0099 -0.000901
   31.5609 2.845455   3  2  0    2   31.5539  2.846075   -0.0070 -0.000620
   33.2621 2.703055   2  4  1    2   33.2603  2.703197   -0.0018 -0.000142
   34.6625 2.596517   1  6  1    2   34.6705  2.595936    0.0080  0.000581
   45.1696 2.011941   0 10  0    2   45.1660  2.012094   -0.0036 -0.000152
   46.3568 1.962976   1  9  1    2   46.3591  1.962882    0.0023  0.000093
   50.8078 1.800451   0  7  2    2   50.8036  1.800592   -0.0042 -0.000141
   57.6062 1.602528   4  0  2    2   57.6001  1.602684   -0.0061 -0.000156
   59.3671 1.559008   4  3  2    2   59.3759  1.558798    0.0088  0.000210

 rmse = 0.00005742566
 
     A =8.902(1)               B =20.121(2)               C =4.6199(6)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 827.50(9)