#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/19/2011948.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_2011948_Fobs loop_ _publ_author_name 'Hirschle, Christian' 'Emmerling, Franziska' 'R\"ohr, Caroline' _publ_section_title ; \b-Rubidium antimonide, Rb~4~Sb~4~ ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 501 _journal_page_last 502 _journal_volume 57 _journal_year 2001 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 114.280 _cell_angle_gamma 90.000 _cell_length_a 7.3566 _cell_length_b 7.1341 _cell_length_c 13.7930 _exptl_crystal_F_000 704.00 _reflns_d_resolution_high 0.7331 _[local]_cod_data_source_file br1316Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title beta-RbSb _shelx_refln_list_code 4 _shelx_f_calc_maximum 404.51 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 163626.28 162452.45 1290.65 o 3 0 0 43658.22 46667.84 924.93 o 4 0 0 749.52 544.11 154.83 o 5 0 0 2237.41 2102.99 202.44 o 6 0 0 11697.30 11434.87 428.92 o 7 0 0 9388.18 8885.90 346.87 o 8 0 0 3284.05 3124.76 348.17 o 9 0 0 11698.94 9355.76 478.96 o 1 1 0 80.48 78.80 239.97 o 2 1 0 553.03 626.48 112.10 o 3 1 0 1078.80 1360.84 126.08 o 4 1 0 76.62 319.25 153.05 o 5 1 0 2773.16 3108.03 203.57 o 6 1 0 245.93 423.56 231.52 o 7 1 0 1581.02 1202.11 298.29 o 8 1 0 420.69 155.00 327.70 o 9 1 0 345.54 283.67 382.78 o 0 2 0 2999.43 2476.19 158.57 o 1 2 0 527.06 616.24 87.57 o 2 2 0 1261.18 1250.85 108.69 o 3 2 0 1534.20 1393.01 138.91 o 4 2 0 103.30 84.65 459.95 o 5 2 0 444.90 665.80 195.12 o 6 2 0 38.94 -17.38 238.02 o 7 2 0 7.28 170.75 280.26 o 8 2 0 148.19 -1577.00 1051.33 o 1 3 0 892.06 988.30 80.58 o 2 3 0 22312.90 23830.75 661.41 o 3 3 0 3204.12 3171.06 154.83 o 4 3 0 20036.33 21079.50 648.58 o 5 3 0 9397.95 9698.24 293.09 o 6 3 0 2431.54 2358.72 271.97 o 7 3 0 3152.36 2956.44 301.87 o 8 3 0 160.60 -518.93 994.96 o 0 4 0 58915.05 50987.39 1297.80 o 1 4 0 2551.61 2608.92 100.08 o 2 4 0 24473.35 25512.30 746.87 o 3 4 0 6629.93 7072.10 204.39 o 4 4 0 141.34 339.72 184.89 o 5 4 0 298.32 -251.99 712.10 o 6 4 0 2659.85 2920.21 270.51 o 7 4 0 2256.60 1841.91 318.76 o 8 4 0 1043.26 862.87 361.98 o 1 5 0 558.10 414.62 109.83 o 2 5 0 6462.24 6962.27 177.74 o 3 5 0 1076.07 1184.07 176.93 o 4 5 0 6177.95 7038.47 254.59 o 5 5 0 4507.16 5112.73 276.20 o 6 5 0 624.95 340.53 282.53 o 7 5 0 2443.12 2377.73 339.07 o 0 6 0 304.08 -273.76 821.28 o 1 6 0 168.07 229.57 130.79 o 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1244.76 1131.43 211.86 o 4 7 1 0.25 -238.99 716.81 o 5 7 1 789.50 779.04 282.05 o 6 7 1 96.15 -838.18 954.34 o -5 8 1 339.97 515.68 315.84 o -4 8 1 590.77 -281.23 833.30 o -3 8 1 3930.53 4427.11 264.82 o -2 8 1 2629.55 2395.11 201.46 o -1 8 1 2671.09 2263.68 323.96 o 0 8 1 11270.92 10183.13 775.14 o 1 8 1 38.05 70.51 195.12 o 2 8 1 6442.10 6151.07 238.99 o 3 8 1 1557.76 2056.37 228.43 o 4 8 1 88.85 -485.13 821.77 o -3 9 1 784.05 917.79 248.41 o -2 9 1 178.12 415.76 219.33 o -1 9 1 42.48 -778.06 1172.05 o 0 9 1 19.45 -1188.95 792.64 o 1 9 1 858.25 764.09 242.40 o 2 9 1 58.83 -215.27 638.34 o 3 9 1 1810.08 2308.68 264.82 o -9 0 2 1438.12 881.23 394.96 o -8 0 2 4830.70 4223.54 356.29 o -7 0 2 3158.69 3102.18 314.21 o -6 0 2 28808.95 29037.71 903.81 o -5 0 2 20.28 -297.32 220.31 o -4 0 2 44388.93 47064.26 1236.06 o -3 0 2 9500.21 9898.24 304.63 o -2 0 2 7600.06 6815.24 220.47 o 1 0 2 1643.71 1832.65 81.23 o 2 0 2 20343.03 22200.37 559.05 o 3 0 2 17804.64 19656.11 463.36 o 4 0 2 514.02 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