****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Fluorophlogopite__R040042-1__Powder__Xray_Data_XY_Processed__3154[1] Symmetry constraint is: MONOCLINIC2 Wavelength #1 = 1.541838 Wavelength #2 = 1.540562 Wavelength #3 = 1.544390 Refinement after correcting for machine error MACHINE ERROR: -0.053 Number of iterations = 0 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 8.881810.007039 0 0 1 2 8.8935 9.993797 0.0117 0.013242 17.7838 4.997995 0 0 2 2 17.7877 4.996898 0.0039 0.001096 22.7296 3.917895 1 1 1 2 22.7231 3.919008 -0.0065 -0.001113 24.4153 3.650492 -1 1 2 2 24.4192 3.649916 0.0039 0.000577 26.3786 3.382536 0 2 2 2 26.3754 3.382945 -0.0032 -0.000409 26.7892 3.331514 0 0 3 2 26.7912 3.331266 0.0020 0.000249 28.5158 3.133225 1 1 2 2 28.5127 3.133557 -0.0031 -0.000331 30.8021 2.905273 -1 1 3 2 30.7964 2.905795 -0.0057 -0.000521 33.2330 2.697768 0 2 3 2 33.2380 2.697371 0.0050 0.000397 34.3184 2.614757 2 0 0 2 34.3207 2.614584 0.0023 0.000173 45.3862 1.998798 0 0 5 2 45.3871 1.998759 0.0009 0.000038 65.3579 1.427648 0 0 7 2 65.3560 1.427685 -0.0019 -0.000037 76.1891 1.249239 0 0 8 2 76.1901 1.249225 0.0010 0.000014 rmse = 0.00003127287 A =5.3110(5) B =9.193(2) C =10.1503(4) Alpha =90 Beta =100.07(1) Gamma =90 Volume = 487.9(1)