****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Phosphosiderite__R070519-9__Powder__Xray_Data_XY_Processed__9551[1] Symmetry constraint is: MONOCLINIC2 Wavelength #1 = 0.710710 Wavelength #2 = 0.709270 Wavelength #3 = 0.713590 Refinement after correcting for machine error MACHINE ERROR: -0.010 Number of iterations = 0 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 6.2672 6.497665 0 1 1 2 6.2497 6.515849 -0.0175 -0.018184 8.3031 4.904412 0 2 0 2 8.3052 4.903174 0.0021 0.001238 9.3433 4.358839 0 0 2 2 9.3421 4.359414 -0.0012 -0.000576 9.9791 4.081486 1 1 1 2 9.9734 4.083828 -0.0057 -0.002342 11.3119 3.601472 1 2 0 2 11.3220 3.598261 0.0101 0.003211 19.1970 2.127915 0 1 4 2 19.1982 2.127778 0.0012 0.000137 19.7538 2.068476 -2 2 2 2 19.7531 2.068552 -0.0007 -0.000076 35.0360 1.178488 0 7 4 2 35.0358 1.178495 -0.0002 -0.000007 rmse = 0.00010358494 A =5.298(3) B =9.806(1) C =8.720(2) Alpha =90 Beta =91.02(6) Gamma =90 Volume = 453.0(3)