#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/70/2207083.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_2207083_Fobs loop_ _publ_author_name 'Demchenko, Pavlo' 'Ko\'nczyk, Joanna' 'Bodak, Oksana' 'Marciniak, Bernard' 'Matvijishyn, Roman' _publ_section_title ; Erbium dicobalt disilicide, ErCo~2~Si~2~ ; _journal_coeditor_code WM6091 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i218 _journal_page_last i220 _journal_volume 61 _journal_year 2005 _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 3.8740 _cell_length_b 3.8740 _cell_length_c 9.7040 _exptl_crystal_F_000 299.88 _reflns_d_resolution_high 0.6385 _[local]_cod_data_source_file wm6091Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' e122 in I 4/m m m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 211.95 _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, -z' '-x, -y, z' '-x, y, -z' 'y, x, -z' 'y, -x, z' '-y, x, z' '-y, -x, -z' 'x+1/2, y+1/2, z+1/2' 'x+1/2, -y+1/2, -z+1/2' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'y+1/2, x+1/2, -z+1/2' 'y+1/2, -x+1/2, z+1/2' '-y+1/2, x+1/2, z+1/2' '-y+1/2, -x+1/2, -z+1/2' '-x, -y, -z' '-x, y, z' 'x, y, -z' 'x, -y, z' '-y, -x, z' '-y, x, -z' 'y, -x, -z' 'y, x, z' '-x+1/2, -y+1/2, -z+1/2' '-x+1/2, y+1/2, z+1/2' 'x+1/2, y+1/2, -z+1/2' 'x+1/2, -y+1/2, z+1/2' '-y+1/2, -x+1/2, z+1/2' '-y+1/2, x+1/2, -z+1/2' 'y+1/2, -x+1/2, -z+1/2' 'y+1/2, x+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 1 1 0 4529.75 4772.48 145.65 o 0 2 0 44923.13 44344.31 314.90 o 2 2 0 30384.69 28137.45 672.36 o 1 3 0 2607.62 2407.93 57.11 o 3 3 0 1756.47 1803.39 119.81 o 0 4 0 16934.19 15866.51 107.77 o 2 4 0 13316.46 12426.35 602.20 o 4 4 0 7257.10 7341.45 245.29 o 1 5 0 1182.39 1142.86 80.47 o 3 5 0 791.21 818.32 72.76 o 0 1 1 8124.41 8517.87 110.52 o 1 2 1 5534.68 5562.71 47.58 o 0 3 1 3965.04 3916.23 51.82 o 2 3 1 3036.08 2915.18 59.93 o 1 4 1 2428.60 2471.86 37.82 o 3 4 1 1666.18 1685.21 31.06 o 0 5 1 1666.18 1639.70 50.67 o 2 5 1 1407.62 1403.71 36.97 o 0 0 2 722.35 1092.60 59.18 o 1 1 2 37096.22 38495.25 663.90 o 0 2 2 723.16 829.84 32.91 o 2 2 2 639.54 712.53 13.72 o 1 3 2 17085.04 16788.79 102.27 o 3 3 2 10064.98 9815.75 64.74 o 0 4 2 505.86 498.64 19.75 o 2 4 2 441.87 430.13 21.50 o 4 4 2 271.16 289.77 58.20 o 1 5 2 6628.83 6540.53 115.52 o 3 5 2 4655.65 5765.63 247.13 o 0 1 3 19157.83 19531.70 128.80 o 1 2 3 12712.07 12474.86 78.55 o 0 3 3 9323.30 9284.39 84.97 o 2 3 3 7170.76 7327.07 140.11 o 1 4 3 5672.41 5650.74 64.69 o 3 4 3 3734.15 3905.13 110.91 o 0 5 3 3734.15 3806.69 66.02 o 2 5 3 3083.47 3254.84 135.05 o 0 0 4 24297.26 29520.84 1898.92 o 1 1 4 72.49 105.43 16.04 o 0 2 4 15745.07 15460.67 91.40 o 2 2 4 11087.25 11008.57 195.13 o 1 3 4 25.86 48.08 7.61 o 3 3 4 26.39 49.16 19.83 o 0 4 4 6552.60 6488.16 93.29 o 2 4 4 5312.31 5483.94 111.47 o 4 4 4 3169.25 3328.20 490.01 o 1 5 4 28.21 47.61 21.53 o 3 5 4 25.30 23.71 48.47 o 0 1 5 14260.74 13455.44 190.43 o 1 2 5 10186.21 10001.37 86.68 o 0 3 5 7724.80 7348.78 119.06 o 2 3 5 6058.30 6068.54 75.17 o 1 4 5 4854.00 4876.04 53.52 o 3 4 5 3248.71 3358.77 119.11 o 0 5 5 3248.72 3339.91 57.16 o 2 5 5 2699.35 2682.26 58.41 o 0 0 6 722.56 885.08 86.15 o 1 1 6 21579.43 22040.59 264.97 o 0 2 6 638.65 677.07 33.16 o 2 2 6 567.58 613.41 19.84 o 1 3 6 11912.42 11495.90 126.03 o 3 3 6 7592.54 7709.73 248.51 o 0 4 6 433.61 402.31 31.09 o 2 4 6 370.88 361.06 19.65 o 1 5 6 5223.82 5459.55 145.05 o 0 1 7 3918.09 3749.38 108.40 o 1 2 7 2985.82 3042.92 65.52 o 0 3 7 2382.04 2403.04 33.30 o 2 3 7 1953.90 1917.57 25.58 o 1 4 7 1630.79 1613.24 41.59 o 3 4 7 1173.26 1121.77 40.10 o 0 5 7 1173.26 1096.17 50.31 o 2 5 7 1006.63 1100.44 114.77 o 0 0 8 24611.52 26063.15 186.21 o 1 1 8 2256.07 2159.44 101.09 o 0 2 8 18458.59 18375.28 212.58 o 2 2 8 14339.81 14338.50 214.87 o 1 3 8 1524.13 1531.65 45.51 o 3 3 8 1023.76 1060.44 42.42 o 0 4 8 9270.76 9458.49 122.28 o 2 4 8 7641.56 7899.78 132.48 o 0 1 9 2829.47 3040.39 85.28 o 1 2 9 2276.14 2226.73 40.40 o 0 3 9 1875.72 1857.14 38.90 o 2 3 9 1569.75 1558.70 33.64 o 1 4 9 1327.91 1277.28 39.90 o 0 0 10 468.94 546.33 36.35 o 1 1 10 9917.97 10096.56 295.99 o 0 2 10 412.07 414.12 35.52 o 2 2 10 356.27 284.25 32.43 o 1 3 10 6487.27 6214.34 81.87 o 3 3 10 4537.53 4671.18 102.35 o 0 4 10 255.86 209.60 49.16 o 2 4 10 213.88 243.32 84.08 o 0 1 11 4887.91 5030.68 64.42 o 1 2 11 3964.85 3774.48 125.75 o 0 3 11 3255.18 2931.58 137.68 o 2 3 11 2699.36 2477.72 60.73 o 0 0 12 4898.03 4765.72 115.66 o 1 1 12 25.83 54.12 29.73 o 0 2 12 4067.36 4268.37 145.55 o 2 2 12 3433.07 3264.82 290.74 o 1 3 12 24.94 49.00 27.91 o 0 1 13 3154.11 3183.53 59.45 o 1 2 13 2614.93 2734.08 45.88 o 0 3 13 2187.07 2056.43 105.84 o 0 0 14 278.12 228.65 74.90 o 1 1 14 4572.49 4662.39 104.80 o 0 2 14 232.12 321.10 106.49 o