****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Rasvumite__R060491-9__Powder__Xray_Data_XY_Processed__10240[1] Symmetry constraint is: ORTHORHOMBIC Wavelength #1 = 0.710710 Wavelength #2 = 0.709270 Wavelength #3 = 0.713590 Refinement after correcting for machine error MACHINE ERROR: -0.037 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 5.8234 7.026124 1 1 0 2 5.8266 7.022215 0.0032 0.003909 7.3594 5.553678 0 2 0 2 7.3772 5.540253 0.0178 0.013425 20.5472 1.991990 3 1 2 2 20.5497 1.991745 0.0025 0.000245 21.0681 1.943187 0 4 2 2 21.0764 1.942430 0.0083 0.000757 22.1729 1.847323 0 6 0 2 22.1798 1.846751 0.0069 0.000572 24.2960 1.687763 1 5 2 2 24.2756 1.689159 -0.0204 -0.001396 30.2429 1.361083 0 0 4 2 30.2168 1.362232 -0.0261 -0.001149 31.1105 1.323977 0 2 4 2 31.1381 1.322832 0.0276 0.001145 rmse = 0.00067040687 A =9.08(3) B =11.08(1) C =5.449(2) Alpha =90 Beta =90 Gamma =90 Volume = 540(2)