#------------------------------------------------------------------------------ #$Date: 2016-04-02 21:39:39 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180796 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/27/2012792.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_2012792_Fobs loop_ _publ_author_name 'Bennazha, J.' 'Boukhari, Ali' 'Holt, Elizabeth M.' _publ_section_title ; Sodium silver tricobalt bis(diphosphate) and sodium silver copper(II) diphosphate ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i87 _journal_page_last i89 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 80.930 _cell_angle_beta 81.800 _cell_angle_gamma 72.920 _cell_length_a 5.2960 _cell_length_b 6.3590 _cell_length_c 16.2380 _exptl_crystal_F_000 591.76 _reflns_d_resolution_high 0.7108 _cod_data_source_file br1368Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LICOX in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 276.88 _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' loop_ _refln_index_h _refln_index_k _refln_index_l 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3.64 -25.28 25.31 o 6 2 0 72.02 36.54 33.25 o 7 2 0 919.31 678.31 60.77 o -5 3 0 2.95 35.06 25.00 o -4 3 0 949.21 955.93 52.31 o -3 3 0 14.41 10.73 18.85 o -2 3 0 7573.58 8261.63 205.06 o -1 3 0 802.51 785.43 23.09 o 0 3 0 12335.58 12421.60 139.87 o 1 3 0 14807.25 15643.72 257.21 o 2 3 0 11176.66 11371.42 198.78 o 3 3 0 1204.46 1287.22 48.96 o 4 3 0 1422.95 1510.10 58.95 o 5 3 0 4653.43 5166.91 220.61 o 6 3 0 16.24 36.91 24.06 o 7 3 0 165.71 171.93 39.62 o -5 4 0 9.47 17.16 26.38 o -4 4 0 360.61 345.69 39.05 o -3 4 0 1194.18 1192.92 51.70 o -2 4 0 52.46 35.40 18.94 o -1 4 0 73.35 46.50 13.00 o 0 4 0 1950.51 1920.52 53.26 o 1 4 0 1303.43 1258.62 34.23 o 2 4 0 1694.16 1736.07 86.71 o 3 4 0 583.34 565.18 31.04 o 4 4 0 7.57 -20.28 20.28 o 5 4 0 7.71 5.72 22.92 o 6 4 0 474.22 480.48 46.75 o 7 4 0 521.38 418.85 56.67 o -4 5 0 618.32 646.30 49.84 o -3 5 0 2848.51 3040.93 117.22 o -2 5 0 2366.16 2501.58 94.45 o -1 5 0 24.47 35.73 14.51 o 0 5 0 0.31 4.90 12.79 o 1 5 0 174.10 190.59 24.99 o 2 5 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26.00 o -2 -4 1 10600.20 10030.82 208.90 o -1 -4 1 434.45 399.30 17.44 o 0 -4 1 4271.60 4231.57 166.46 o 1 -4 1 1619.00 1603.55 43.43 o 2 -4 1 6177.96 6254.22 197.41 o 3 -4 1 2.08 7.66 17.30 o 4 -4 1 722.59 808.19 51.56 o 5 -4 1 560.66 606.94 54.90 o -7 -3 1 171.07 161.16 32.37 o -6 -3 1 822.20 767.11 54.83 o -5 -3 1 306.92 340.90 33.62 o -4 -3 1 441.28 450.46 32.66 o -3 -3 1 5867.70 6238.58 167.59 o -2 -3 1 3743.35 3452.44 111.19 o -1 -3 1 0.09 9.89 7.81 o 0 -3 1 949.07 950.34 28.03 o 1 -3 1 137.51 143.03 13.15 o 2 -3 1 5901.70 6427.44 182.57 o 3 -3 1 8273.01 8798.17 241.52 o 4 -3 1 3694.43 4156.54 192.69 o 5 -3 1 25.23 37.32 23.10 o -7 -2 1 413.70 290.25 49.53 o -6 -2 1 437.32 317.92 46.83 o -5 -2 1 0.73 71.23 20.80 o -4 -2 1 1083.46 970.60 48.58 o -3 -2 1 4423.21 5038.68 154.81 o -2 -2 1 4.91 38.74 10.59 o -1 -2 1 877.83 833.63 21.81 o 0 -2 1 19477.03 20194.95 149.41 o 1 -2 1 625.36 565.38 17.44 o 2 -2 1 3393.55 3383.52 120.08 o 3 -2 1 1.39 3.43 17.33 o 4 -2 1 0.34 1.93 18.21 o 5 -2 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357.37 o 5 3 1 426.78 462.96 36.51 o 6 3 1 680.73 601.78 53.82 o 7 3 1 585.27 502.33 52.61 o -5 4 1 725.97 766.92 54.56 o -4 4 1 152.63 152.70 28.68 o -3 4 1 265.54 337.55 28.84 o -2 4 1 184.00 240.57 23.02 o -1 4 1 200.46 232.05 23.33 o 0 4 1 2245.95 2408.46 72.40 o 1 4 1 1416.86 1350.46 35.70 o 2 4 1 55.69 48.40 17.48 o 3 4 1 68.38 114.15 17.36 o 4 4 1 7101.62 7660.58 228.03 o 5 4 1 14.15 75.16 20.75 o 6 4 1 2477.17 2708.11 109.61 o 7 4 1 119.10 119.05 34.04 o -4 5 1 2348.71 2337.08 96.82 o -3 5 1 1672.13 1741.97 75.26 o -2 5 1 763.21 751.23 42.64 o -1 5 1 3906.91 3922.44 112.64 o 0 5 1 209.63 216.38 24.57 o 1 5 1 480.06 483.61 32.38 o 2 5 1 3161.40 3043.22 130.81 o 3 5 1 97.62 131.85 20.84 o 4 5 1 643.63 720.20 40.54 o 5 5 1 697.49 732.71 47.57 o 6 5 1 231.86 288.29 40.97 o 7 5 1 289.83 314.09 44.88 o -3 6 1 1298.99 1344.77 65.99 o -2 6 1 524.42 505.21 38.88 o -1 6 1 1412.59 1333.20 45.76 o 0 6 1 2119.90 2027.38 54.30 o 1 6 1 6899.98 6803.02 150.09 o 2 6 1 4242.75 4166.64 173.36 o 3 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42.92 o -5 2 2 64.92 59.95 26.00 o -4 2 2 930.37 927.80 46.02 o -3 2 2 793.08 827.29 36.62 o -2 2 2 803.43 798.28 32.63 o -1 2 2 2945.71 2731.03 61.11 o 0 2 2 11608.80 12094.60 111.56 o 1 2 2 35587.98 39092.03 808.98 o 2 2 2 729.16 1135.44 40.72 o 3 2 2 2066.34 2232.64 107.74 o 4 2 2 335.24 290.24 28.61 o 5 2 2 3.06 -2.50 19.57 o 6 2 2 5230.72 4032.04 152.23 o 7 2 2 273.55 217.76 42.36 o -5 3 2 186.76 243.87 35.15 o -4 3 2 1233.75 1272.12 53.39 o -3 3 2 3681.01 3609.52 156.13 o -2 3 2 2624.96 2514.34 112.97 o -1 3 2 4128.06 3815.02 121.27 o 0 3 2 6507.40 6575.27 99.73 o 1 3 2 173.08 184.72 11.44 o 2 3 2 319.88 357.94 21.71 o 3 3 2 4553.48 4998.81 161.27 o 4 3 2 1456.29 1474.69 62.59 o 5 3 2 7.79 42.69 19.46 o 6 3 2 1890.48 1739.64 78.23 o 7 3 2 83.79 92.04 31.77 o -5 4 2 465.34 438.12 47.22 o -4 4 2 42.00 3.68 25.38 o -3 4 2 7.66 21.30 17.60 o -2 4 2 1951.92 1825.84 69.32 o -1 4 2 5867.12 5532.80 116.12 o 0 4 2 116.31 116.23 12.63 o 1 4 2 1026.88 1055.99 30.52 o 2 4 2 5555.05 5811.82 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