****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** R060848_Ephesite_POWDER[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: -0.034 Number of iterations = 0 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 9.2101 9.629394 0 0 2 2 9.2213 9.617696 0.0112 0.011698 18.4635 4.810139 0 0 4 2 18.4685 4.808848 0.0050 0.001291 43.3307 2.087988 1 -3 5 2 43.3340 2.087835 0.0033 0.000154 27.8368 3.206119 0 0 6 2 27.8388 3.205899 0.0020 0.000221 62.9665 1.475641 -1 3 11 2 62.9674 1.475623 0.0009 0.000018 68.2323 1.373961 0 0 14 2 68.2325 1.373957 0.0002 0.000004 37.2401 2.414588 2 0 2 2 37.2401 2.414588 0.0000 0.000000 54.6962 1.677685 -1 -3 9 2 54.6962 1.677685 0.0000 0.000000 72.3145 1.306081 2 0 12 2 72.3145 1.306081 0.0000 0.000000 47.2499 1.923406 0 0 10 2 47.2464 1.923539 -0.0035 -0.000134 35.5969 2.522298 1 -3 1 2 35.5916 2.522659 -0.0053 -0.000361 rmse = 0.00003499480 A =5.1261(8) B =8.880(2) C =19.3124(7) Alpha =89.946(6) Beta =95.116(8) Gamma =89.96(2) Volume = 875.6(1)