#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/30/2013050.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_2013050_Fobs loop_ _publ_author_name 'Graetsch, Heribert A.' _publ_section_title ; Zn location in the W-type hexagonal ferrite SrZnCoFe~16~O~27~ ; _journal_issue 11 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i152 _journal_page_last i153 _journal_volume 58 _journal_year 2002 _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 5.9020 _cell_length_b 5.9020 _cell_length_c 32.7800 _exptl_crystal_F_000 1454.00 _reflns_d_resolution_high 0.6824 _[local]_cod_data_source_file sk1585Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' W-Ferrit in P 63/m m c SrZnCoFe16O27 ' _shelx_refln_list_code 3 _shelx_f_calc_maximum 767.09 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' '-y, -x, -z+1/2' 'y, x, -z' 'x-y, -y, -z' '-x+y, y, -z+1/2' 'x, x-y, -z+1/2' '-x, -x+y, -z' '-y, x-y, z' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' '-x+y, -x, z' '-x, -y, -z' 'x, y, -z-1/2' 'y, x, z-1/2' '-y, -x, z' '-x+y, y, z' 'x-y, -y, z-1/2' '-x, -x+y, z-1/2' 'x, x-y, z' 'y, -x+y, -z' '-y, x-y, -z-1/2' '-x+y, -x, -z-1/2' 'x-y, x, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_sigma _refln_A_calc _refln_B_calc 0 1 0 16.7786 0.4498 -16.3156 0.0000 -1 2 0 314.1478 3.3276 309.8225 0.0000 0 2 0 31.3035 0.4805 31.3958 0.0000 -1 3 0 13.4506 0.6424 -12.6040 0.0000 0 3 0 246.8616 2.3590 242.5953 0.0000 -2 4 0 751.8559 14.3265 766.2401 0.0000 -1 4 0 5.1477 1.3116 -4.9007 0.0000 0 4 0 10.9331 1.2933 11.0463 0.0000 -2 5 0 2.1642 1.8603 -1.7398 0.0000 -1 5 0 178.6954 1.0124 177.5050 0.0000 0 5 0 11.3859 1.1013 -11.9758 0.0000 -3 6 0 160.9774 1.8570 159.3159 0.0000 -2 6 0 4.4713 1.7195 3.1731 0.0000 -1 6 0 6.1220 1.5181 -5.4860 0.0000 0 6 0 424.5887 6.4778 419.2131 0.0000 -3 7 0 9.5011 1.1106 -10.0223 0.0000 -2 7 0 123.4095 0.9130 121.9913 0.0000 -1 7 0 0.7771 2.5603 -0.4523 0.0000 0 7 0 2.9955 5.3676 -1.1039 0.0000 -4 8 0 348.4089 0.9474 345.3102 0.0000 -3 8 0 4.3715 3.2345 -2.4181 0.0000 -2 8 0 7.1273 5.0975 -4.8542 0.0000 0 1 1 22.0166 0.5240 -19.0829 0.0000 0 2 1 155.7887 0.9911 -158.4022 0.0000 -1 3 1 15.3186 0.3943 -15.2388 0.0000 0 3 1 5.2582 1.2265 -2.4194 0.0000 -1 4 1 11.3379 0.5310 11.5932 0.0000 0 4 1 113.1181 0.8360 114.1938 0.0000 -2 5 1 8.3933 0.5307 -8.1106 0.0000 -1 5 1 4.9547 0.7390 2.8172 0.0000 0 5 1 10.0867 0.8364 10.0498 0.0000 -2 6 1 87.7659 0.3885 -87.9940 0.0000 -1 6 1 9.4451 0.7534 -9.0363 0.0000 0 6 1 10.5136 1.5285 0.0635 0.0000 -3 7 1 9.1645 0.8419 -8.4374 0.0000 -2 7 1 5.9287 1.2640 -4.9712 0.0000 -1 7 1 6.8824 1.2121 5.5960 0.0000 0 7 1 6.9490 2.4969 -4.1164 0.0000 -3 8 1 7.1832 1.7437 6.4878 0.0000 -2 8 1 61.2184 0.8234 61.4142 0.0000 0 1 2 32.4742 0.4553 -28.9607 0.0000 -1 2 2 26.1864 0.2963 -25.8220 0.0000 0 2 2 154.2578 0.8962 159.0240 0.0000 -1 3 2 6.7821 0.7868 -4.8646 0.0000 0 3 2 21.7078 0.6112 -21.2889 0.0000 -2 4 2 19.8345 0.5730 20.4782 0.0000 -1 4 2 19.3362 0.4043 -18.7744 0.0000 0 4 2 111.7277 0.9178 113.3903 0.0000 -2 5 2 23.5240 0.3132 -23.8072 0.0000 -1 5 2 15.3558 0.4306 -15.7811 0.0000 0 5 2 4.9812 1.2706 4.9060 0.0000 -3 6 2 12.9628 0.7223 -13.6944 0.0000 -2 6 2 87.8460 0.3834 87.6512 0.0000 -1 6 2 6.0625 1.0601 -5.6470 0.0000 0 6 2 11.1235 1.3110 10.1324 0.0000 -3 7 2 4.2950 1.4015 3.1942 0.0000 -2 7 2 9.9920 0.9470 -11.1275 0.0000 -1 7 2 14.0703 0.8280 -14.4488 0.0000 0 7 2 13.9326 2.0405 -15.4001 0.0000 -4 8 2 10.1012 1.5501 8.2670 0.0000 -3 8 2 9.6382 1.5611 -8.9872 0.0000 -2 8 2 63.9616 0.8429 63.2133 0.0000 0 1 3 54.6341 0.4735 -52.3616 0.0000 0 2 3 116.7544 0.9297 -112.9516 0.0000 -1 3 3 13.1593 0.4432 -12.8733 0.0000 0 3 3 16.6529 0.5954 -16.5849 0.0000 -1 4 3 27.3660 0.3319 27.5946 0.0000 0 4 3 64.5952 0.4801 65.0381 0.0000 -2 5 3 35.6316 0.2614 -35.9727 0.0000 -1 5 3 9.7721 0.5435 9.9766 0.0000 0 5 3 0.1229 2.0355 -0.0236 0.0000 -2 6 3 46.6287 0.3121 -46.6544 0.0000 -1 6 3 7.7968 0.8720 -7.7240 0.0000 0 6 3 5.6663 1.8401 -0.0976 0.0000 -3 7 3 1.7131 2.0687 -0.3369 0.0000 -2 7 3 12.3363 0.8164 -12.7542 0.0000 -1 7 3 18.9762 0.6633 19.5107 0.0000 0 7 3 24.7134 1.3905 -24.7551 0.0000 -3 8 3 11.0960 1.3983 11.0189 0.0000 -2 8 3 31.5303 1.2590 31.5569 0.0000 0 1 4 30.0308 0.4541 -26.6269 0.0000 -1 2 4 79.6824 0.5243 79.9620 0.0000 0 2 4 208.3317 2.0817 214.0850 0.0000 -1 3 4 2.1808 1.7895 -1.5037 0.0000 0 3 4 64.3075 0.5129 64.0907 0.0000 -2 4 4 12.7717 0.7170 -12.3945 0.0000 -1 4 4 14.4175 0.4841 -14.5097 0.0000 0 4 4 151.6634 1.2261 152.7852 0.0000 -2 5 4 19.6042 0.3572 -19.9774 0.0000 -1 5 4 46.9445 0.2432 47.1708 0.0000 0 5 4 10.1130 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45.3374 0.4496 46.2084 0.0000 0 7 9 40.9831 1.4775 -41.3280 0.0000 -3 8 9 44.5878 0.9364 45.1163 0.0000 -2 8 9 50.7387 0.8786 50.8452 0.0000 0 0 10 151.8779 0.7496 -150.8015 0.0000 0 1 10 266.3633 3.1937 -269.6093 0.0000 -1 2 10 23.9378 0.5387 19.3280 0.0000 0 2 10 89.2427 0.8530 88.1824 0.0000 -1 3 10 210.4816 1.4429 -212.5666 0.0000 0 3 10 17.1221 0.7124 15.4452 0.0000 -2 4 10 96.5255 0.6942 -96.5135 0.0000 -1 4 10 176.4927 0.8944 -179.0165 0.0000 0 4 10 55.1674 0.3935 54.9563 0.0000 -2 5 10 155.4720 0.6487 -156.1280 0.0000 -1 5 10 11.8776 0.5442 11.4062 0.0000 0 5 10 130.4864 0.9270 -129.8925 0.0000 -3 6 10 10.7267 1.0072 10.5759 0.0000 -2 6 10 41.1141 0.3370 41.3588 0.0000 -1 6 10 118.0454 0.5906 -117.1315 0.0000 0 6 10 56.6513 0.6006 -56.4917 0.0000 -3 7 10 104.1100 0.3832 -103.1403 0.0000 -2 7 10 10.3072 1.0194 10.5103 0.0000 -1 7 10 100.3855 0.6873 -99.3937 0.0000 0 7 10 94.3707 1.2586 -92.4505 0.0000 -4 8 10 46.1639 1.5056 -46.1269 0.0000 -3 8 10 89.6836 0.7458 -88.8780 0.0000 -2 8 10 29.6984 1.2196 30.1933 0.0000 0 1 11 223.8172 2.5872 225.0386 0.0000 0 2 11 43.1314 0.3590 -41.9276 0.0000 -1 3 11 208.6446 1.5020 209.0928 0.0000 0 3 11 4.2368 1.1606 -2.6003 0.0000 -1 4 11 151.9947 0.7891 -152.8294 0.0000 0 4 11 21.1413 0.5333 22.2266 0.0000 -2 5 11 114.5889 0.4856 113.4842 0.0000 -1 5 11 3.3888 1.2296 0.4230 0.0000 0 5 11 143.8144 1.1325 -143.4097 0.0000 -2 6 11 15.0082 0.5840 -14.9895 0.0000 -1 6 11 117.5573 0.5963 117.1797 0.0000 0 6 11 6.5571 1.7668 0.0370 0.0000 -3 7 11 116.7729 0.5295 115.8973 0.0000 -2 7 11 3.2298 2.1968 0.5766 0.0000 -1 7 11 77.1374 0.6434 -76.9692 0.0000 0 7 11 59.5513 1.1966 60.3914 0.0000 -3 8 11 82.0484 0.7165 -81.7002 0.0000 -2 8 11 10.6703 2.1154 9.5167 0.0000 0 0 12 276.7240 5.4096 273.7993 0.0000 0 1 12 56.1241 0.6218 -56.8084 0.0000 -1 2 12 10.2994 0.8322 9.5522 0.0000 0 2 12 44.2795 0.3491 44.5796 0.0000 -1 3 12 56.6610 0.3066 -58.2833 0.0000 0 3 12 10.8608 0.7351 10.4040 0.0000 -2 4 12 186.2789 1.5749 187.9111 0.0000 -1 4 12 34.8031 0.2949 -36.4705 0.0000 0 4 12 27.5872 0.4475 27.2887 0.0000 -2 5 12 22.7960 0.3728 -22.8106 0.0000 -1 5 12 8.0321 0.7201 8.0940 0.0000 0 5 12 41.6523 0.5259 -42.5351 0.0000 -3 6 12 7.1151 1.3776 5.8755 0.0000 -2 6 12 18.5502 0.5264 18.6541 0.0000 -1 6 12 30.1640 0.4396 -30.6446 0.0000 0 6 12 116.4626 0.9957 114.9163 0.0000 -3 7 12 33.0970 0.4684 -34.1805 0.0000 -2 7 12 8.0239 1.1996 7.2477 0.0000 -1 7 12 16.3492 0.9448 -15.6040 0.0000 0 7 12 11.0707 3.5099 -10.6119 0.0000 -4 8 12 96.5431 1.4124 96.0115 0.0000 -3 8 12 19.7875 1.5561 -19.4437 0.0000 -2 8 12 10.0881 2.6232 8.0603 0.0000 0 1 13 4.8464 1.1880 -2.0369 0.0000 0 2 13 88.4910 0.7944 88.2669 0.0000 -1 3 13 4.4049 1.0228 -1.7822 0.0000 0 3 13 11.0707 0.7792 10.8657 0.0000 -1 4 13 4.5026 0.9140 1.6748 0.0000 0 4 13 57.5684 0.3689 -57.8130 0.0000 -2 5 13 5.0323 0.8705 -2.1448 0.0000 -1 5 13 8.0805 0.6863 -7.0481 0.0000 0 5 13 5.1061 1.5508 0.8027 0.0000 -2 6 13 44.2790 0.3339 44.4402 0.0000 -1 6 13 5.5377 1.1688 -1.1074 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9.8329 3.6603 -9.1915 0.0000 -4 8 14 60.7092 1.0723 61.5805 0.0000 -3 8 14 23.2715 1.2973 -22.9603 0.0000 0 1 15 11.3377 0.8627 10.7238 0.0000 0 2 15 268.7255 3.1313 -268.9585 0.0000 -1 3 15 4.2017 0.9425 -1.9844 0.0000 0 3 15 12.2517 0.7736 -12.5654 0.0000 -1 4 15 7.1320 0.6831 -7.4893 0.0000 0 4 15 188.2313 1.2187 188.4118 0.0000 -2 5 15 13.6996 0.5513 14.6655 0.0000 -1 5 15 8.8225 0.7129 9.0675 0.0000 0 5 15 7.9025 1.4342 6.9424 0.0000 -2 6 15 148.6181 0.5808 -147.5271 0.0000 -1 6 15 6.5359 1.0594 -0.3137 0.0000 0 6 15 5.5494 1.9260 -0.3501 0.0000 -3 7 15 7.7819 1.1407 -5.3830 0.0000 -2 7 15 12.7188 0.9614 -12.7842 0.0000 -1 7 15 10.2730 1.3828 -10.2011 0.0000 0 7 15 14.7936 3.2278 15.1679 0.0000 -3 8 15 7.6058 2.3658 -4.6645 0.0000 0 0 16 18.9220 3.6339 12.3573 0.0000 0 1 16 69.8462 0.5605 70.0222 0.0000 -1 2 16 72.9450 0.8059 72.9679 0.0000 0 2 16 343.6366 4.9329 345.1732 0.0000 -1 3 16 54.5473 0.3721 54.9322 0.0000 0 3 16 60.4553 0.5028 60.8419 0.0000 -2 4 16 0.9776 2.1381 0.4420 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