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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 Pyroxmangite__R070212.1__Powder__Xray_Data_XY_Processed__8110[1]
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   41.0691 2.197421   2  2  4    2   41.0778  2.196975    0.0087  0.000445
   34.6033 2.592104   0 -4  2    2   34.6113  2.591525    0.0080  0.000579
   33.5439 2.671577  -2 -2  6    2   33.5499  2.671116    0.0060  0.000461
   29.8715 2.991442   1 -3  3    2   29.8772  2.990884    0.0057  0.000557
   18.8909 4.700773   2  0  0    2   18.8953  4.699695    0.0044  0.001077
   12.8457 6.901074   1  1  0    2   12.8482  6.899747    0.0025  0.001327
   44.4001 2.039881  -4 -2  6    2   44.4023  2.039785    0.0022  0.000095
   29.5752 3.020763   3  1  0    2   29.5772  3.020566    0.0020  0.000197
   41.6302 2.169070   2 -4  2    2   41.6319  2.168986    0.0017  0.000085
   24.1030 3.693560  -2 -2  1    2   24.1037  3.693454    0.0007  0.000106
   31.7998 2.814143   3  1  1    2   31.7998  2.814139    0.0000  0.000004
   55.6434 1.651188   4 -4  2    2   55.6431  1.651197   -0.0003 -0.000009
   25.8323 3.449814   2  2  0    2   25.8318  3.449873   -0.0005 -0.000060
   45.9921 1.972863   1 -5  2    2   45.9910  1.972907   -0.0011 -0.000044
   13.4350 6.599022  -1  1  0    2   13.4334  6.599791   -0.0016 -0.000769
   51.6908 1.767835  -1 -5  8    2   51.6878  1.767931   -0.0030 -0.000096
   28.2312 3.161588  -2  2  1    2   28.2251  3.162260   -0.0061 -0.000672
   36.0335 2.492351  -3 -3  2    2   36.0254  2.492894   -0.0081 -0.000542
   34.1095 2.628523   0  2  4    2   34.0997  2.629259   -0.0098 -0.000736
   27.8413 3.205018   2  0  3    2   27.8300  3.206293   -0.0113 -0.001275

 rmse = 0.00005190356
 
     A =9.6626(9)              B =10.4669(9)              C =17.379(2)           
 Alpha =112.161(9)          Beta =103.16(1)           Gamma =82.763(7)           
 
 Volume = 1583.5(2)