#------------------------------------------------------------------------------ #$Date: 2011-07-04 21:24:21 +0300 (Mon, 04 Jul 2011) $ #$Revision: 22560 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2018117.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_2018117_Fobs loop_ _publ_author_name 'Lim, Hyung-Kyu' 'Choi, Young Sun' 'Hong, Seung-Tae' _publ_contact_author_address ; LG CHEM Research Park, Daejeon 305-380, South Korea ; _publ_contact_author_email sthong@lgchem.com _publ_contact_author_fax 82-42-861-2057 _publ_contact_author_name 'Seung-Tae Hong' _publ_contact_author_phone 82-42-866-2498 _publ_section_title ; Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data ; _journal_coeditor_code SQ3289 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i36 _journal_page_last i38 _journal_volume 67 _journal_year 2011 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _audit_author_name 'Hyung-Kyu Lim' _audit_creation_date 2011-04-06T15:23 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ; 2011-04-06T15:23 Initial CIF as created by GSAS2CIF ; _pd_block_id 2011-04-06T15:23|MGP|Hyung-Kyu_Lim|Overall _reflns_d_resolution_high 0.851 _reflns_d_resolution_low 5.337 _reflns_limit_h_max 5 _reflns_limit_h_min 0 _reflns_limit_k_max 10 _reflns_limit_k_min 0 _reflns_limit_l_max 8 _reflns_limit_l_min -9 _reflns_number_total 481 _[local]_cod_data_source_file sq3289Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 1 1 o 401.631 435.687 0.00 5.33672 15.56 1 0 0 o 108.360 82.630 180.00 4.25747 1.33 0 2 0 o 174.803 161.828 180.00 4.20859 2.14 1 1 -1 o 77.941 71.424 180.00 4.16962 1.90 1 1 0 o 5195.212 5225.856 180.00 3.79913 100.00 1 0 -2 o 3226.105 3026.276 0.00 3.68523 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157.186 89.059 180.00 0.95682 0.22 2 2 -8 o 247.725 143.684 0.00 0.95487 0.33 1 5 5 o 190.032 108.320 0.00 0.95487 0.26 5 1 -5 o 1.328 0.710 180.00 0.95380 0.00 4 5 -5 o 13.381 9.577 0.00 0.95120 0.02 3 3 3 o 114.094 98.529 0.00 0.95028 0.14 1 7 -5 o 97.899 85.597 0.00 0.95006 0.12 1 8 2 o 16.981 14.799 0.00 0.95001 0.02 4 4 0 o 56.067 48.564 0.00 0.94978 0.07 0 5 6 o 64.190 55.261 0.00 0.94969 0.09 2 7 -5 o 141.629 117.156 0.00 0.94933 0.19 3 2 -8 o 4.559 3.378 180.00 0.94894 0.01 3 7 -1 o 215.286 166.836 0.00 0.94880 0.29 2 6 3 o 0.375 0.335 0.00 0.94731 0.00 2 8 -3 o 249.798 229.560 180.00 0.94643 0.34 5 2 -4 o 548.057 504.206 0.00 0.94644 0.74 4 3 -7 o 182.500 160.945 180.00 0.94438 0.26 1 6 -6 o 911.861 828.750 0.00 0.94381 1.24 3 6 1 o 14.102 13.274 180.00 0.94326 0.02 2 8 0 o 582.095 547.610 0.00 0.94323 0.79 4 5 -1 o 54.472 50.658 0.00 0.94259 0.07 2 7 2 o 371.983 297.675 180.00 0.94184 0.50 2 2 5 o 56.548 38.188 180.00 0.94085 0.08 3 5 2 o 39.612 26.984 0.00 0.94074 0.06 3 7 -4 o 50.939 34.349 0.00 0.94033 0.07 5 2 -3 o 116.967 76.818 180.00 0.93938 0.17 1 3 6 o 90.172 68.662 0.00 0.93878 0.12 5 0 -2 o 1019.071 841.799 0.00 0.93840 0.70 1 0 -8 o 226.474 203.431 180.00 0.93787 0.16 5 2 -5 o 71.498 58.347 0.00 0.93595 0.11 2 5 -7 o 98.185 69.407 0.00 0.93506 0.13 5 1 -2 o 66.452 54.891 180.00 0.93262 0.09 1 1 -8 o 108.899 102.733 180.00 0.93210 0.16 5 0 -6 o 630.921 672.932 0.00 0.93159 0.45 0 3 7 o 239.520 254.499 0.00 0.93013 0.32 4 3 1 o 115.246 95.778 180.00 0.92776 0.17 1 8 -4 o 315.086 257.249 0.00 0.92712 0.44 0 9 1 o 29.844 24.906 0.00 0.92677 0.04 5 1 -6 o 56.144 48.388 180.00 0.92594 0.08 2 3 -8 o 64.941 58.580 0.00 0.92556 0.09 3 6 -6 o 215.882 207.279 180.00 0.92418 0.32 2 5 4 o 30.175 30.262 180.00 0.92387 0.05 4 0 -8 o 1.570 0.902 0.00 0.92131 0.00 3 3 -8 o 27.977 15.246 180.00 0.92016 0.04 1 9 -1 o 405.855 340.167 0.00 0.91798 0.59 4 6 -3 o 34.989 29.598 180.00 0.91799 0.05 5 3 -4 o 102.251 88.652 180.00 0.91787 0.14 3 7 0 o 299.816 275.426 0.00 0.91742 0.42 3 5 -7 o 10.176 9.997 0.00 0.91661 0.01 5 2 -2 o 38.872 43.701 180.00 0.91591 0.06 4 1 -8 o 423.206 484.467 180.00 0.91584 0.62 1 2 -8 o 132.029 168.195 0.00 0.91541 0.20 2 8 -4 o 255.495 269.388 0.00 0.91369 0.37 1 9 0 o 49.471 49.674 0.00 0.91346 0.07 2 3 5 o 317.488 268.047 0.00 0.91277 0.46 4 6 -4 o 3.302 2.461 0.00 0.91189 0.00 5 3 -3 o 258.248 206.082 0.00 0.91143 0.37 4 5 -6 o 501.418 437.258 180.00 0.91091 0.73 3 4 3 o 377.859 337.113 0.00 0.91053 0.55 1 5 -7 o 316.527 282.965 0.00 0.91001 0.46 5 2 -6 o 0.158 0.098 180.00 0.90957 0.00 2 8 1 o 70.956 61.728 180.00 0.90889 0.11 5 3 -5 o 38.957 36.676 0.00 0.90829 0.05 4 6 -2 o 18.788 18.180 180.00 0.90807 0.03 1 7 4 o 327.663 332.015 180.00 0.90767 0.49 0 7 5 o 0.551 0.552 0.00 0.90664 0.00 1 9 -2 o 60.773 60.700 0.00 0.90651 0.09 4 4 -7 o 0.744 0.681 180.00 0.90534 0.00 3 7 -5 o 19.944 13.308 0.00 0.90475 0.03 3 0 4 o 127.193 133.185 0.00 0.90328 0.10 0 9 2 o 62.779 66.323 0.00 0.90267 0.09 4 0 2 o 39.145 29.682 180.00 0.90211 0.03 1 4 6 o 18.634 16.930 0.00 0.90040 0.03 4 2 -8 o 65.241 51.979 0.00 0.89999 0.10 4 5 0 o 494.362 367.936 0.00 0.89964 0.74 0 8 4 o 0.261 0.024 180.00 0.89829 0.00 3 1 4 o 101.615 68.706 0.00 0.89812 0.15 4 1 2 o 230.821 183.151 0.00 0.89698 0.36 1 8 3 o 49.773 45.244 0.00 0.89595 0.08 5 1 -1 o 146.747 177.150 0.00 0.89424 0.23 1 6 5 o 2.046 2.178 0.00 0.89370 0.00 1 9 1 o 0.010 0.105 180.00 0.89364 0.00 0 4 7 o 220.727 187.340 0.00 0.89275 0.35 4 6 -5 o 0.854 0.867 0.00 0.89069 0.00 4 4 1 o 91.920 92.576 0.00 0.89066 0.14 5 3 -2 o 5.175 3.830 180.00 0.88994 0.01 1 3 -8 o 46.902 28.936 0.00 0.88949 0.07 0 6 6 o 191.894 112.522 180.00 0.88945 0.30 2 4 -8 o 3.577 1.153 0.00 0.88871 0.01 2 7 -6 o 185.352 191.721 180.00 0.88560 0.30 5 1 -7 o 0.029 0.038 0.00 0.88543 0.00 5 3 -6 o 16.314 17.344 0.00 0.88413 0.03 3 4 -8 o 40.191 38.799 180.00 0.88393 0.07 4 6 -1 o 0.072 0.062 0.00 0.88362 0.00 3 2 4 o 1.653 1.278 0.00 0.88317 0.00 3 6 2 o 310.264 238.161 180.00 0.88209 0.49 4 2 2 o 99.434 76.822 0.00 0.88208 0.16 5 4 -4 o 382.040 297.790 0.00 0.88190 0.60 3 8 -2 o 313.595 243.474 0.00 0.88139 0.50 5 2 -1 o 145.529 102.602 0.00 0.87947 0.24 3 8 -3 o 102.294 72.368 0.00 0.87910 0.17 1 9 -3 o 84.653 59.183 180.00 0.88075 0.14 2 7 3 o 437.315 349.884 0.00 0.87779 0.69 2 6 -7 o 48.429 38.068 180.00 0.87740 0.08 2 4 5 o 95.204 72.832 0.00 0.87738 0.16 5 4 -3 o 426.419 277.346 0.00 0.87618 0.69 4 3 -8 o 1.385 1.054 180.00 0.87532 0.00 1 7 -6 o 217.707 175.714 0.00 0.87501 0.36 3 7 1 o 160.339 138.258 0.00 0.87457 0.25 5 4 -5 o 102.820 54.421 180.00 0.87339 0.17 2 9 -2 o 0.048 0.026 0.00 0.87142 0.00 5 2 -7 o 33.799 25.723 180.00 0.87109 0.06 2 9 -1 o 40.916 40.814 180.00 0.87058 0.07 1 8 -5 o 52.932 53.210 0.00 0.87052 0.09 2 8 -5 o 117.055 114.407 0.00 0.86996 0.20 3 8 -1 o 18.942 16.134 180.00 0.86955 0.04 3 1 -9 o 24.859 28.519 0.00 0.86815 0.04 2 6 4 o 184.931 212.473 180.00 0.86814 0.32 1 1 7 o 47.420 53.975 180.00 0.86793 0.08 0 9 3 o 28.733 24.518 0.00 0.86638 0.05 3 5 3 o 206.480 193.297 0.00 0.86606 0.35 2 8 2 o 6.501 18.848 180.00 0.86418 0.01 3 8 -4 o 3.006 4.466 0.00 0.86301 0.00 0 0 8 o 217.804 268.541 0.00 0.86264 0.20 3 6 -7 o 2.292 2.253 180.00 0.86210 0.00 2 1 -9 o 248.762 236.317 0.00 0.86199 0.44 4 5 -7 o 78.757 68.269 0.00 0.86159 0.14 1 9 2 o 0.324 0.286 0.00 0.86131 0.00 3 3 4 o 62.588 63.780 180.00 0.85982 0.11 3 7 -6 o 5.766 4.669 180.00 0.85929 0.01 4 3 2 o 2.347 1.935 180.00 0.85881 0.00 2 9 -3 o 358.321 299.816 0.00 0.85865 0.64 0 1 8 o 32.475 28.347 0.00 0.85815 0.06 4 6 -6 o 383.845 320.119 0.00 0.85736 0.67 1 5 6 o 181.496 149.558 180.00 0.85734 0.33 5 4 -2 o 25.512 20.702 180.00 0.85704 0.05 1 4 -8 o 246.602 195.835 0.00 0.85664 0.44 1 6 -7 o 1.413 1.126 180.00 0.85661 0.00 5 3 -1 o 15.226 11.683 180.00 0.85641 0.03 2 9 0 o 64.490 48.715 180.00 0.85625 0.11 3 2 -9 o 163.444 130.001 180.00 0.85462 0.30 2 0 6 o 925.200 763.635 0.00 0.85445 0.83 1 2 7 o 23.367 19.402 0.00 0.85441 0.04 4 7 -3 o 274.801 228.863 0.00 0.85431 0.50 5 4 -6 o 0.079 0.001 0.00 0.85185 0.00 5 0 0 o 312.124 283.416 180.00 0.85149 0.29 0 5 7 o 31.459 38.798 0.00 0.85073 0.06