#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2103586.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_2103586_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 sn00041.48GPasup21.hkl _[local]_cod_data_source_block 1.48GPa 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 462.979 638.909 .00 .83 1 1 0 1 o 55.636 9.651 180.00 .20 2 0 0 1 o 20.474 9.930 180.00 .04 1 1 -1 1 o 55069.11 54921.46 .00 100.00 2 0 -1 1 o 153.271 162.044 180.00 .14 1 1 1 1 o 304.134 316.428 180.00 .54 2 0 1 1 o 44571.52 45103.62 .00 35.82 0 2 0 1 o 41403.20 40142.34 .00 24.11 3 1 0 1 o 38327.90 38271.84 .00 41.11 0 0 2 1 o 5071.198 4081.026 180.00 2.37 0 2 1 1 o 1004.790 1233.162 180.00 .94 3 1 -1 1 o 15.318 21.408 180.00 .02 2 2 0 1 o 197.563 386.007 180.00 .18 3 1 1 1 o -.107 .000 .00 .00 4 0 0 1 o 7024.398 6659.215 180.00 2.84 2 0 -2 1 o 13411.160 14374.880 .00 4.94 1 1 -2 1 o 354.341 357.934 .00 .25 1 1 2 1 o 23125.350 21463.440 .00 16.32 2 2 -1 1 o 2059.623 1877.717 .00 1.49 2 0 2 1 o 7296.873 7930.402 .00 2.51 2 2 1 1 o 11750.930 12471.680 .00 7.86 4 0 -1 1 o 24468.620 25848.750 .00 8.22 4 0 1 1 o 708.701 416.428 180.00 .23 3 1 -2 1 o -1.536 .006 .00 .00 0 2 2 1 o 743.989 1324.566 180.00 .40 1 3 0 1 o 89.868 51.840 180.00 .05 3 1 2 1 o 578.733 920.274 180.00 .28 4 2 0 1 o 3.032 3.741 180.00 .00 2 2 -2 1 o 32731.020 32263.560 .00 14.93 5 1 0 1 o 203.984 201.080 180.00 .10 4 0 -2 1 o 636.301 620.953 .00 .14 1 3 -1 1 o 33669.940 31508.350 .00 14.93 1 3 1 1 o 334.271 399.194 180.00 .15 2 2 2 1 o 172.574 192.690 .00 .07 4 2 -1 1 o 39468.75 40169.18 .00 16.97 5 1 -1 1 o 844.996 789.987 180.00 .36 0 0 3 1 o 15915.170 16210.370 .00 3.25 4 2 1 1 o 1.095 .628 180.00 .00 4 0 2 1 o 32309.460 33060.010 .00 6.54 5 1 1 1 o 23342.110 23405.750 .00 9.16 3 3 0 1 o 26235.920 24481.760 .00 9.95 2 0 -3 1 o 231.448 232.737 .00 .04 1 1 -3 1 o 3531.794 4285.208 180.00 1.35 1 1 3 1 o 2492.529 3035.497 .00 .90 2 0 3 1 o 1466.468 1360.969 180.00 .26 6 0 0 1 o 21413.100 20233.950 .00 3.75 3 3 -1 1 o 12.024 11.264 180.00 .01 3 3 1 1 o -1.062 1.075 180.00 .00 6 0 -1 1 o 152.529 256.292 180.00 .03 1 3 -2 1 o 220.008 231.323 .00 .07 4 2 -2 1 o 696.658 577.206 .00 .23 1 3 2 1 o 15343.310 14965.250 .00 4.91 5 1 -2 1 o 21677.320 22043.160 .00 6.94 0 2 3 1 o 28352.690 28203.080 .00 8.67 4 2 2 1 o 17366.280 17693.340 .00 5.22 6 0 1 1 o 79.758 79.546 .00 .01 3 1 -3 1 o 15767.550 15704.370 .00 4.88 0 4 0 1 o 42317.32 38894.12 .00 6.25 5 1 2 1 o 2168.216 2040.972 .00 .63 3 1 3 1 o 19426.930 22878.060 .00 5.57 2 2 -3 1 o 1519.855 1664.258 .00 .43 4 0 -3 1 o 377.140 388.218 180.00 .06 3 3 -2 1 o 50.502 31.081 180.00 .02 0 4 1 1 o 85.211 73.491 .00 .02 2 2 3 1 o 2389.995 2149.325 180.00 .66 6 2 0 1 o 26271.100 24068.710 .00 7.12 2 4 0 1 o 77.465 76.347 180.00 .02 6 0 -2 1 o 111.802 117.706 .00 .02 3 3 2 1 o 512.547 953.173 180.00 .14 6 2 -1 1 o 627.003 1240.663 180.00 .17 4 0 3 1 o 1603.981 2981.024 .00 .21 5 3 0 1 o 129.748 180.897 180.00 .04 2 4 -1 1 o 312.830 219.520 180.00 .08 2 4 1 1 o 20477.940 18714.770 .00 5.10 6 2 1 1 o 2538.363 2921.382 .00 .64 5 3 -1 1 o 496.682 583.852 180.00 .13 7 1 0 1 o 8.099 9.353 .00 .00 6 0 2 1 o 3142.335 4619.815 180.00 .39 5 3 1 1 o 17715.720 16980.260 .00 4.18 7 1 -1 1 o 19855.340 19351.530 .00 4.68 0 0 4 1 o 556.748 588.612 .00 .06 4 2 -3 1 o 2752.027 2998.998 180.00 .65 1 3 -3 1 o 2858.291 2954.071 180.00 .67 5 1 -3 1 o 1617.785 1557.147 .00 .37 7 1 1 1 o 525.162 475.742 180.00 .12 1 3 3 1 o 2051.846 1886.057 .00 .46 0 4 2 1 o 2142.059 1914.991 180.00 .49 2 0 -4 1 o 1937.935 1708.294 180.00 .22 1 1 -4 1 o 16566.180 18244.090 .00 3.66 6 2 -2 1 o 1940.669 1258.195 180.00 .43 4 4 0 1 o 2179.058 2053.549 180.00 .49 1 1 4 1 o 1496.514 1414.087 180.00 .33 4 2 3 1 o 43.843 40.746 .00 .01 2 4 -2 1 o 9131.430 8847.674 .00 1.92 2 0 4 1 o 9620.814 10388.050 .00 1.01 5 3 -2 1 o 15382.500 15781.320 .00 3.20 5 1 3 1 o 2840.452 3114.052 180.00 .60 2 4 2 1 o 2161.884 2211.951 .00 .45 4 4 -1 1 o 14167.880 13371.760 .00 2.91 3 3 -3 1 o 12557.930 11733.040 .00 2.56 7 1 -2 1 o 210.396 194.887 180.00 .05 6 2 2 1 o 1198.078 1139.238 180.00 .25 6 0 -3 1 o 16852.440 18702.270 .00 1.70 4 4 1 1 o 405.527 448.628 180.00 .08 3 1 -4 1 o 779.967 610.144 .00 .15 8 0 0 1 o 312.258 237.713 .00 .03