****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Olivenite__R050532-1__Powder__Xray_Data_XY_Processed__1745[1] Symmetry constraint is: MONOCLINIC3 Wavelength #1 = 1.541838 Wavelength #2 = 1.540562 Wavelength #3 = 1.544390 Refinement after correcting for machine error MACHINE ERROR: -0.026 Number of iterations = 3 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 14.8941 5.953308 1 1 0 2 14.9027 5.949899 0.0086 0.003410 18.1503 4.890429 1 0 1 2 18.1571 4.888618 0.0068 0.001811 20.6366 4.305763 2 0 0 2 20.6367 4.305744 0.0001 0.000019 23.9675 3.713729 1 2 0 2 23.9724 3.712987 0.0049 0.000742 31.8814 2.806878 1 0 2 2 31.8805 2.806956 -0.0009 -0.000078 33.0413 2.710869 3 1 0 2 33.0474 2.710378 0.0061 0.000491 34.3036 2.613873 1 3 0 2 34.3020 2.613990 -0.0016 -0.000117 34.7046 2.584560 3 0 1 2 34.7070 2.584388 0.0024 0.000172 36.7647 2.444223 2 0 2 2 36.7634 2.444309 -0.0013 -0.000085 49.9093 1.826622 2 -3 2 2 49.9093 1.826622 0.0000 0.000000 52.4873 1.742766 4 0 2 2 52.4825 1.742914 -0.0048 -0.000148 54.4105 1.685592 5 1 0 2 54.4039 1.685782 -0.0066 -0.000190 73.2040 1.292261 6 0 2 2 73.2084 1.292194 0.0044 0.000067 rmse = 0.00004630082 A =8.6115(4) B =8.230(1) C =5.9382(7) Alpha =90.12(2) Beta =90 Gamma =90 Volume = 420.87(8)