****************************************************************************** **Program REFINE Version 3.0** Kurt Bartelmehs and Bob Downs, 1998 ****************************************************************************** Chlorartinite__R060878-1__Powder__Xray_Data_XY_Processed__7022[1] Symmetry constraint is: HEXAGONAL Wavelength #1 = 1.541838 Wavelength #2 = 1.540562 Wavelength #3 = 1.544390 Refinement after correcting for machine error MACHINE ERROR: -0.037 OBSERVED CALCULATED DIFFERENCE 2theta d h k l Wave# 2theta d 2theta d 7.653411.597617 1 1 0 2 7.6576 11.591306 0.0042 0.006310 13.2507 6.694813 3 0 0 2 13.2558 6.692244 0.0051 0.002569 15.3132 5.795248 2 2 0 2 15.3121 5.795653 -0.0011 -0.000405 26.2389 3.398280 2 0 2 2 26.2395 3.398205 0.0006 0.000074 29.7840 3.000866 4 3 1 2 29.7724 3.002008 -0.0116 -0.001142 31.7444 2.819658 1 6 1 2 31.7534 2.818881 0.0090 0.000777 rmse = 0.00005555134 A =23.183(5) B =23.183(5) C =7.223(3) Alpha =90 Beta =90 Gamma =120 Volume = 3360(1)