X-ray and electron diffraction study of MgO ------------------------------------------- By Tsirelson V.G., Avilov A.S., Abramov A.S., Belokoneva E.L., Kitaneh R., and Feil D. *************************************************************************** X-ray structure amplitudes for MgO. ----------------------------------- Output of the kappa-model refinement of observed data. Fobs and Fcalc are dynamic; U(O)= 0.0042(1), U(Mg)=0.0040(1) A**2 . Extinction and anomalous scattering contributions are excluded from Fobs. H K L sin(theta/lambda) Fobs Fcalc sigma(FObs) Extinct. 1 1 1 .2055 11.3788 11.2442 .0126 .965 2 0 0 .2373 52.6638 53.2052 .0934 .627 2 2 0 .3356 41.9273 41.4175 .0347 .789 3 1 1 .3935 12.2826 12.0303 .0125 .980 2 2 2 .4110 33.9883 34.0927 .0397 .870 4 0 0 .4746 29.8750 28.9894 .0322 .914 3 3 1 .5172 9.4653 9.4303 .0124 .991 4 2 0 .5306 25.4627 25.2150 .0127 .939 4 2 2 .5813 22.5512 22.3157 .0189 .955 3 3 3 .6165 7.1684 7.1070 .0309 1.0 5 1 1 .6165 7.1870 7.1070 .0185 1.0 4 4 0 .6712 18.2321 18.1745 .0250 .972 5 3 1 .7020 5.4446 5.3691 .0123 1.0 6 0 0 .7119 16.7403 16.6504 .0374 .977 4 4 2 .7119 16.8525 16.6504 .0187 .977 6 2 0 .7504 15.5899 15.3751 .0187 .981 5 3 3 .7781 4.1770 4.1166 .0123 1.0 6 2 2 .7870 14.4999 14.2952 .0187 .983 4 4 4 .8220 13.7584 13.3667 .0373 .985 5 5 1 .8473 3.3061 3.2198 .0123 1.0 7 1 1 .8473 3.3123 3.2198 .0123 1.0 6 4 0 .8556 12.6921 12.5586 .0186 .987 6 4 2 .8879 12.0076 11.8506 .0124 .988 5 5 3 .9114 2.6766 2.5777 .0123 1.0 7 3 1 .9114 2.6704 2.5777 .0062 1.0 8 0 0 .9492 10.8301 10.6608 .0434 .990 7 3 3 .9712 2.2262 2.1142 .0123 1.0 6 4 4 .9784 10.3609 10.1560 .0248 .991 8 2 0 .9784 10.3114 10.1560 .0248 .991 6 6 0 1.0068 9.8183 9.6970 .0310 .992 8 2 2 1.0068 9.8245 9.6970 .0248 .992 5 5 5 1.0276 1.8560 1.7779 .0123 1.0 7 5 1 1.0276 1.8745 1.7779 .0062 1.0 6 6 2 1.0344 9.4126 9.2785 .0248 .993 8 4 0 1.0613 9.0013 8.8939 .0247 .993 **************************************************************************** **************************************************************************** Electron diffraction measured (dynamic) structure amplitudes for MgO. ---------------------------------------------------------------------- Data are corrected for primary extinction; U(O)=0.0044(2) , U(Mg)= 0.0042(1)A**2. H K L Fobs sigma(Fobs) sin(theta/lambda) 1 1 1 1.960 .020 .2057 2 0 0 11.120 .100 .2375 2 2 0 7.647 .008 .3358 3 1 1 .487 .005 .3938 2 2 2 5.874 .006 .4113 4 0 0 3.014 .003 .4749 3 3 1 .407 .004 .5176 4 2 0 3.527 .034 .5310 4 2 2 3.374 .004 .5817 3 3 3 .480 .005 .6170 4 4 0 2.160 .002 .6717 5 3 1 .407 .004 .7025 6 0 0 2.400 .003 .7124 6 2 0 1.840 .002 .7510 5 3 3 .387 .004 .7786 6 2 2 2.187 .020 .7876 4 4 4 1.833 .019 .8226 5 5 1 .467 .005 .8479 6 4 0 1.867 .020 .8562 6 4 2 1.727 .020 .8885 5 5 3 .487 .005 .9120 8 0 0 1.327 .015 .9499 7 3 3 .487 .005 .9720 6 4 4 1.627 .020 .9791 6 6 0 1.160 .012 1.0075 5 5 5 .373 .004 1.0283 6 6 2 1.247 .014 1.0351 8 4 0 1.040 .010 1.0620 7 5 3 .300 .003 1.0817 8 4 2 1.000 .010 1.0882 6 6 4 .974 .001 1.1138 9 3 1 .340 .004 1.1327 8 4 4 .920 .010 1.1634 7 5 5 .240 .003 1.1814 8 6 0 .820 .010 1.1874 10 2 0 .880 .012 1.2109 7 7 3 .227 .003 1.2282 6 6 6 .773 .008 1.2339 9 5 3 .220 .003 1.2733 8 6 4 .740 .010 1.2788