#------------------------------------------------------------------------------ #$Date: 2016-04-03 01:23:50 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181037 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/17/2211739.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_2211739_Fobs loop_ _publ_author_name 'Graia, Mohsen' 'Ksiksi, Regaya' 'Driss, Ahmed' _publ_section_title ; Li~1,44~Al~1,44~Si~1,56~O~6~ ; _journal_coeditor_code BR2020 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i3 _journal_page_last i4 _journal_volume 63 _journal_year 2007 _space_group_IT_number 180 _symmetry_space_group_name_Hall 'P 62 2 (0 0 4)' _symmetry_space_group_name_H-M 'P 62 2 2' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 5.2654 _cell_length_b 5.2654 _cell_length_c 5.6240 _exptl_crystal_F_000 92.88 _reflns_d_resolution_high 0.7240 _cod_data_source_file br2020Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ksi1 in P 62 2 2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 33.66 _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' 'y, x, -z+2/3' '-y, -x, -z+2/3' '-y, x-y, z+2/3' 'y, -x+y, z+2/3' 'x-y, -y, -z' '-x+y, y, -z' '-x+y, -x, z+1/3' 'x-y, x, z+1/3' '-x, -x+y, -z+1/3' 'x, x-y, -z+1/3' 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 0 1 0 117.55 114.15 0.87 o -1 2 0 175.85 185.42 2.11 o 0 2 0 240.71 221.40 1.66 o -1 3 0 40.52 45.99 0.97 o 0 3 0 180.56 183.48 1.87 o -2 4 0 826.34 823.17 6.67 o -1 4 0 64.33 63.36 1.31 o 0 4 0 320.26 315.08 6.97 o -2 5 0 82.92 84.26 1.72 o -1 5 0 19.70 18.58 0.49 o 0 5 0 23.91 23.12 0.60 o -3 6 0 0.71 0.15 0.70 o -2 6 0 150.74 151.04 3.70 o -1 6 0 15.06 15.16 0.48 o 0 6 0 107.02 106.20 2.35 o -3 7 0 0.08 -0.11 0.59 o -2 7 0 27.60 27.89 0.72 o 0 1 1 1132.93 1119.48 8.87 o -1 2 1 0.16 2.31 0.17 o 0 2 1 110.53 122.22 1.52 o -2 3 1 315.61 317.32 5.57 o -1 3 1 315.61 322.17 6.59 o 0 3 1 58.87 60.12 0.79 o -3 4 1 322.73 311.50 6.10 o -2 4 1 9.58 9.91 0.31 o -1 4 1 322.73 318.58 2.89 o 0 4 1 23.94 21.91 0.40 o -4 5 1 81.64 79.64 1.69 o -3 5 1 156.73 158.55 3.19 o -2 5 1 156.73 157.77 2.32 o -1 5 1 81.64 81.81 1.72 o 0 5 1 75.54 70.79 1.20 o -5 6 1 48.19 46.51 1.13 o -4 6 1 21.96 23.04 0.74 o -3 6 1 48.74 51.21 2.21 o -2 6 1 21.96 22.08 0.74 o -1 6 1 48.19 50.12 1.28 o 0 6 1 4.43 2.56 0.60 o -5 7 1 68.96 72.01 1.82 o -4 7 1 28.89 28.84 0.75 o -3 7 1 28.89 31.00 0.77 o -2 7 1 68.96 68.21 1.74 o 0 1 2 36.90 29.41 0.47 o -1 2 2 904.28 908.97 5.28 o 0 2 2 63.60 71.96 1.27 o -2 3 2 166.41 163.07 1.83 o -1 3 2 166.41 171.31 1.91 o 0 3 2 362.90 344.33 3.44 o -3 4 2 115.33 119.49 3.79 o -2 4 2 12.17 9.95 0.33 o -1 4 2 115.33 110.33 2.40 o 0 4 2 11.54 11.42 0.26 o -4 5 2 122.51 122.44 3.59 o -3 5 2 68.37 72.16 1.63 o -2 5 2 68.37 72.05 2.84 o -1 5 2 122.51 122.88 2.16 o 0 5 2 76.84 74.67 1.35 o -5 6 2 86.31 85.49 2.09 o -4 6 2 18.11 17.82 0.53 o -3 6 2 85.88 87.38 5.34 o -2 6 2 18.11 18.71 0.82 o -1 6 2 86.31 86.36 2.10 o 0 6 2 8.18 7.73 0.31 o -4 7 2 65.54 68.74 1.76 o -3 7 2 65.54 68.26 1.67 o 0 0 3 7.00 4.77 0.20 o 0 1 3 18.40 18.71 0.33 o -1 2 3 3.18 2.98 0.27 o 0 2 3 865.76 912.44 4.04 o -2 3 3 158.71 152.76 5.68 o -1 3 3 158.71 158.44 2.03 o 0 3 3 0.58 0.99 0.28 o -3 4 3 4.50 4.58 0.30 o -2 4 3 145.06 146.20 4.88 o -1 4 3 4.50 4.81 0.27 o 0 4 3 265.53 266.32 3.91 o -4 5 3 11.67 11.67 0.40 o -3 5 3 0.04 0.02 0.44 o -2 5 3 0.04 -0.15 0.83 o -1 5 3 11.67 12.28 0.42 o 0 5 3 103.61 100.37 2.82 o -5 6 3 6.71 7.17 0.98 o -4 6 3 164.82 164.15 3.50 o -3 6 3 47.49 47.44 1.18 o -2 6 3 164.82 169.75 2.86 o -1 6 3 6.71 7.21 0.55 o 0 1 4 66.77 68.83 0.92 o -1 2 4 417.86 410.56 4.03 o 0 2 4 26.86 24.51 0.43 o -2 3 4 93.39 97.87 1.95 o -1 3 4 93.39 99.16 1.77 o 0 3 4 179.79 183.38 1.95 o -3 4 4 66.24 62.33 1.44 o -2 4 4 2.12 2.18 0.50 o -1 4 4 66.24 66.28 1.61 o 0 4 4 14.88 13.75 0.65 o -4 5 4 89.12 91.79 3.92 o -3 5 4 67.54 64.91 1.48 o -2 5 4 67.54 70.82 1.75 o -1 5 4 89.12 87.23 1.99 o 0 5 4 52.81 51.17 0.88 o -4 6 4 11.73 11.93 0.62 o -3 6 4 73.81 72.85 1.75 o -2 6 4 11.73 11.83 0.49 o 0 1 5 235.38 238.75 1.92 o -1 2 5 28.16 30.13 0.78 o 0 2 5 8.66 7.83 0.23 o -2 3 5 101.57 100.12 3.73 o -1 3 5 101.57 105.03 2.00 o 0 3 5 33.89 31.89 0.60 o -3 4 5 117.71 120.16 3.29 o -2 4 5 4.80 5.04 0.36 o -1 4 5 117.71 117.59 2.31 o 0 4 5 1.63 -0.08 0.43 o -4 5 5 41.21 39.26 1.01 o -3 5 5 81.96 81.71 2.03 o -2 5 5 81.96 84.04 1.91 o -1 5 5 41.21 41.25 1.02 o 0 0 6 500.11 486.13 8.06 o 0 1 6 19.45 19.55 0.35 o -1 2 6 25.88 26.44 0.63 o 0 2 6 116.13 122.38 1.61 o -2 3 6 0.79 0.62 0.69 o -1 3 6 0.79 0.58 0.68 o 0 3 6 33.61 31.39 0.58 o -3 4 6 17.65 16.50 0.64 o -2 4 6 194.81 197.73 3.14 o -1 4 6 17.65 18.56 1.43 o 0 4 6 100.90 94.89 1.59 o 0 1 7 84.26 84.39 1.44 o -1 2 7 17.19 18.55 0.55 o 0 2 7 4.67 4.14 0.32 o -2 3 7 56.84 55.62 1.49 o -1 3 7 56.84 57.61 1.80 o