#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103585.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2103585_Fobs loop_ _publ_author_name 'Krogh Andersen, Anne Marie' 'Carlson, Stefan' _publ_section_title ; High-pressure structures of \a- and \d-ZrMo~2~O~8~ ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 20 _journal_page_last 26 _journal_volume 57 _journal_year 2001 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _[local]_cod_data_source_file sn00041.18GPasup19.hkl _[local]_cod_data_source_block 1.18GPa loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_calc _refln_F_squared_meas _refln_phase_calc _refln_intensity_meas 0 0 1 1 o 654.916 861.456 .00 1.14 1 1 0 1 o 77.851 26.508 180.00 .26 2 0 0 1 o 12.590 5.335 180.00 .02 1 1 -1 1 o 58201.41 57668.01 .00 100.00 2 0 -1 1 o 290.717 299.907 180.00 .26 1 1 1 1 o 414.980 438.604 180.00 .70 2 0 1 1 o 44160.64 44969.70 .00 33.91 0 2 0 1 o 39799.06 40058.54 .00 21.60 3 1 0 1 o 38934.98 38375.16 .00 39.38 0 2 1 1 o 756.190 1187.249 180.00 .67 0 0 2 1 o 4987.181 3572.373 180.00 2.24 3 1 -1 1 o 3.750 5.973 180.00 .00 2 2 0 1 o 218.011 323.682 180.00 .18 3 1 1 1 o .037 .449 180.00 .00 4 0 0 1 o 7985.682 6633.978 180.00 3.05 2 0 -2 1 o 13890.740 15523.670 .00 4.88 1 1 -2 1 o 404.294 419.035 .00 .28 1 1 2 1 o 20495.350 19363.140 .00 13.82 2 2 -1 1 o 1881.391 1598.726 .00 1.28 2 0 2 1 o 7134.117 8058.889 .00 2.36 4 0 -1 1 o 25597.530 26603.230 .00 8.14 2 2 1 1 o 11925.500 12400.570 .00 7.52 4 0 1 1 o 1333.762 894.405 180.00 .40 3 1 -2 1 o 12.228 21.716 .00 .01 0 2 2 1 o 798.998 1342.945 180.00 .40 1 3 0 1 o 20.516 8.403 180.00 .01 3 1 2 1 o 932.152 1346.985 180.00 .43 4 2 0 1 o .063 .004 .00 .00 2 2 -2 1 o 35610.89 34203.740 .00 15.38 5 1 0 1 o 227.122 216.480 180.00 .10 4 0 -2 1 o 374.434 345.298 .00 .08 1 3 -1 1 o 32519.490 32646.340 .00 13.49 2 2 2 1 o 109.801 125.922 .00 .04 1 3 1 1 o 202.284 239.188 180.00 .09 4 2 -1 1 o 42474.24 41291.09 .00 17.19 5 1 -1 1 o 1013.259 1036.286 180.00 .41 0 0 3 1 o 13152.440 13269.670 .00 2.57 4 0 2 1 o 29462.020 31706.360 .00 5.70 4 2 1 1 o 21.209 22.561 180.00 .01 5 1 1 1 o 22457.190 22910.110 .00 8.36 2 0 -3 1 o 298.120 302.346 .00 .05 1 1 -3 1 o 4496.369 4476.021 180.00 1.63 3 3 0 1 o 24785.660 23290.160 .00 8.80 1 1 3 1 o 3370.783 3813.513 .00 1.17 2 0 3 1 o 1750.139 1479.301 180.00 .30 6 0 0 1 o 19631.690 18970.440 .00 3.25 3 3 -1 1 o 39.602 78.405 180.00 .02 3 3 1 1 o .049 .382 .00 .00 6 0 -1 1 o -8.826 190.879 180.00 .00 3 1 -3 1 o 14763.380 14738.060 .00 4.35 6 0 1 1 o 223.571 215.939 .00 .03 1 3 -2 1 o 136.457 123.205 .00 .04 4 2 -2 1 o 538.082 385.752 .00 .16 0 2 3 1 o 26325.550 24944.050 .00 7.66 5 1 -2 1 o 23798.900 23206.150 .00 7.22 1 3 2 1 o 14386.230 14179.890 .00 4.34 4 2 2 1 o 16848.130 17458.190 .00 4.80 5 1 2 1 o 3043.948 3018.994 .00 .85 3 1 3 1 o 20902.740 22691.300 .00 5.74 0 4 0 1 o 36009.22 39334.03 .00 4.96 4 0 -3 1 o 133.588 138.662 180.00 .02 2 2 -3 1 o 2097.631 2161.483 .00 .57 3 3 -2 1 o 52.126 40.700 180.00 .02 2 2 3 1 o 2499.966 2835.180 180.00 .66 6 2 0 1 o 26512.460 22431.380 .00 6.78 0 4 1 1 o 106.620 102.619 .00 .03 6 0 -2 1 o 63.472 73.735 .00 .01 2 4 0 1 o 47.575 84.490 180.00 .01 3 3 2 1 o 390.430 954.892 180.00 .10 4 0 3 1 o 1979.965 4736.924 .00 .25 6 2 -1 1 o 1044.160 1289.307 180.00 .27 5 3 0 1 o 505.720 377.966 180.00 .13 2 4 -1 1 o 399.345 302.936 180.00 .10 6 2 1 1 o 3792.609 3718.677 .00 .90 2 4 1 1 o 17838.760 18415.370 .00 4.15 6 0 2 1 o 4470.116 5132.991 180.00 .53 7 1 0 1 o 41.473 48.661 .00 .01 5 3 -1 1 o 848.417 837.556 180.00 .20 0 0 4 1 o 1016.614 931.039 .00 .11 7 1 -1 1 o 20145.600 18636.380 .00 4.49 5 3 1 1 o 16388.670 15406.880 .00 3.64 4 2 -3 1 o 2285.106 2378.062 180.00 .51 5 1 -3 1 o 1298.854 1394.374 .00 .28 1 3 -3 1 o 3472.902 3734.709 180.00 .77 7 1 1 1 o 565.132 570.921 180.00 .12 2 0 -4 1 o 2900.010 2937.748 180.00 .31 1 3 3 1 o 2111.730 2184.864 .00 .45 1 1 -4 1 o 15580.660 17217.630 .00 3.30 0 4 2 1 o 2390.883 1865.028 180.00 .51 6 2 -2 1 o 2310.723 1592.617 180.00 .49 1 1 4 1 o 2378.471 1681.813 180.00 .50 2 0 4 1 o 9859.392 11804.780 .00 1.00 4 2 3 1 o 234.258 278.895 .00 .04 4 4 0 1 o 2107.013 2182.147 180.00 .44 2 4 -2 1 o 9252.913 9000.177 .00 1.82 5 1 3 1 o 3186.373 3634.475 180.00 .64 5 3 -2 1 o 16499.570 17178.520 .00 3.24 2 4 2 1 o 2725.476 2356.069 .00 .54 3 3 -3 1 o 12344.910 11083.920 .00 2.37 4 4 -1 1 o 14326.770 13473.990 .00 2.75 6 2 2 1 o 1049.048 1065.344 180.00 .20 7 1 -2 1 o 361.644 385.274 180.00 .07 6 0 -3 1 o 16345.540 18810.950 .00 1.56 3 1 -4 1 o 844.889 909.272 .00 .16 4 4 1 1 o 893.155 742.819 180.00 .17 8 0 0 1 o 302.520 226.495 .00 .03 0 2 4 1 o 4408.445 4457.105 .00 .82 5 3 2 1 o 1765.702 1799.996 .00 .33