****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Microcline__R050054-1__Powder__Xray_Data_XY_Processed__816[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: -0.035 Number of iterations = 0 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 13.1764 6.731719 1 1 0 2 13.1690 6.735521 -0.0074 -0.003801 19.3261 4.597346 0 2 1 2 19.3335 4.595611 0.0074 0.001735 21.0550 4.222948 -2 0 1 2 21.0593 4.222088 0.0043 0.000860 22.3662 3.977864 1 1 1 2 22.3562 3.979632 -0.0100 -0.001768 22.6733 3.924591 1 -1 1 2 22.6697 3.925200 -0.0036 -0.000609 23.2576 3.827148 1 3 0 2 23.2543 3.827678 -0.0033 -0.000530 24.0180 3.707497 -1 3 0 2 24.0247 3.706481 0.0067 0.001016 24.3723 3.654319 -1 -3 1 2 24.3722 3.654333 -0.0001 -0.000014 26.4802 3.367622 2 2 0 2 26.4791 3.367760 -0.0011 -0.000138 27.1098 3.290722 -2 0 2 2 27.1090 3.290816 -0.0008 -0.000094 29.5070 3.028284 1 3 1 2 29.5149 3.027496 0.0079 0.000789 37.6765 2.387690 -1 5 1 2 37.6731 2.387898 -0.0034 -0.000208 43.6158 2.075060 2 0 2 2 43.6148 2.075107 -0.0010 -0.000047 46.2519 1.962652 2 -2 2 2 46.2532 1.962600 0.0013 0.000052 rmse = 0.00003946952 A =8.578(2) B =12.957(2) C =7.218(2) Alpha =90.72(2) Beta =115.94(1) Gamma =87.74(2) Volume = 720.8(1)