#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/22/2212297.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_2212297_Fobs loop_ _publ_author_name 'Horchani-Naifer, Karima' 'F\'erid, Mokhtar' _publ_section_title ; Potassium ytterbium diphosphate ; _journal_coeditor_code MG2007 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i33 _journal_page_last i34 _journal_volume 63 _journal_year 2007 _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 106.768 _cell_angle_gamma 90.000 _cell_length_a 7.5380 _cell_length_b 10.8320 _cell_length_c 8.5370 _exptl_crystal_F_000 700.00 _reflns_d_resolution_high 0.7099 _[local]_cod_data_source_file mg2007Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' b27 in P 21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 352.37 _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 1 0 0 1762.37 2217.93 65.28 o 2 0 0 46529.82 43752.61 1097.03 o 3 0 0 15196.14 16661.69 234.92 o 4 0 0 15189.23 16200.02 357.18 o 5 0 0 10151.13 11448.37 295.77 o 6 0 0 7098.09 7915.48 137.30 o 7 0 0 5360.78 5898.55 215.63 o 8 0 0 3803.37 3778.16 244.43 o 9 0 0 14134.85 14072.82 502.87 o 10 0 0 4796.73 4383.45 298.51 o 1 1 0 33275.96 31500.35 227.27 o 2 1 0 17.66 31.97 5.89 o 3 1 0 1219.44 1130.69 26.21 o 4 1 0 1023.73 1010.93 29.32 o 5 1 0 15350.62 15944.50 155.13 o 6 1 0 48.78 44.81 15.69 o 7 1 0 3185.03 3345.18 94.27 o 8 1 0 5635.98 5155.20 230.29 o 9 1 0 2702.74 2081.87 139.21 o 10 1 0 4498.42 4656.48 222.62 o 0 2 0 5421.35 6080.47 132.49 o 1 2 0 892.52 1082.45 29.93 o 2 2 0 8055.30 8949.45 200.87 o 3 2 0 1823.58 2089.61 50.45 o 4 2 0 2280.29 2399.74 44.52 o 5 2 0 971.76 929.42 32.78 o 6 2 0 651.70 568.60 30.97 o 7 2 0 542.77 494.47 43.85 o 8 2 0 3732.08 3680.65 124.85 o 9 2 0 1686.05 1601.61 159.84 o 10 2 0 116.32 63.21 60.00 o 1 3 0 93877.11 77766.30 1473.37 o 2 3 0 7499.67 8016.16 80.96 o 3 3 0 35682.07 36751.08 471.25 o 4 3 0 9156.65 9680.65 141.70 o 5 3 0 8665.28 9258.27 187.26 o 6 3 0 2671.94 2910.32 67.41 o 7 3 0 8019.06 8167.27 194.08 o 8 3 0 6573.36 7397.47 246.88 o 9 3 0 4531.12 4571.90 206.95 o 0 4 0 68787.25 59458.61 612.30 o 1 4 0 456.08 564.10 19.72 o 2 4 0 41726.88 41563.07 456.37 o 3 4 0 7831.92 8470.15 92.25 o 4 4 0 5115.22 5099.51 85.46 o 5 4 0 3263.00 3425.79 65.30 o 6 4 0 6567.19 6643.67 155.40 o 7 4 0 2487.71 2402.21 99.31 o 8 4 0 3143.33 2998.97 113.27 o 9 4 0 7672.97 8491.49 235.52 o 1 5 0 1789.31 1940.35 36.34 o 2 5 0 2699.58 2988.94 46.69 o 3 5 0 1492.20 1481.36 35.81 o 4 5 0 6.04 10.50 10.79 o 5 5 0 104.43 60.11 17.16 o 6 5 0 959.71 883.55 52.64 o 7 5 0 9.54 23.97 24.94 o 8 5 0 16.15 12.04 29.24 o 9 5 0 15.12 16.26 42.92 o 0 6 0 42112.84 43513.73 785.25 o 1 6 0 247.43 201.82 16.24 o 2 6 0 31843.20 32611.79 263.75 o 3 6 0 1104.92 1042.63 33.32 o 4 6 0 6014.25 6586.77 152.04 o 5 6 0 702.07 638.84 39.27 o 6 6 0 8818.13 9149.32 206.91 o 7 6 0 6809.40 7639.45 205.82 o 8 6 0 8170.07 8702.28 297.54 o 9 6 0 5357.45 6050.79 290.34 o 1 7 0 55458.34 54787.07 382.50 o 2 7 0 8697.59 9347.30 106.56 o 3 7 0 15862.73 16677.88 242.09 o 4 7 0 6637.30 6832.80 89.32 o 5 7 0 6981.77 7110.01 127.43 o 6 7 0 3026.81 3252.10 133.64 o 7 7 0 4285.49 4414.26 125.45 o 8 7 0 4729.31 5307.50 254.03 o 9 7 0 2476.25 2511.47 109.66 o 0 8 0 2344.22 2289.14 72.52 o 1 8 0 0.01 15.84 12.00 o 2 8 0 227.87 196.57 20.14 o 3 8 0 0.61 4.32 13.48 o 4 8 0 1032.24 1002.43 47.40 o 5 8 0 1.99 14.92 22.37 o 6 8 0 1146.84 1057.55 64.96 o 7 8 0 30.37 38.46 32.17 o 8 8 0 226.50 158.00 43.22 o 1 9 0 11945.50 12922.28 171.70 o 2 9 0 2726.95 2659.23 60.19 o 3 9 0 13540.05 14896.08 195.01 o 4 9 0 271.80 214.42 29.68 o 5 9 0 2852.86 2685.96 91.86 o 6 9 0 2591.48 2622.48 96.95 o 7 9 0 4994.39 5368.64 144.22 o 8 9 0 2050.89 2379.85 106.66 o 0 10 0 31748.46 35122.42 853.42 o 1 10 0 3396.64 3584.61 74.33 o 2 10 0 23628.71 25681.90 366.37 o 3 10 0 2062.58 2173.52 68.95 o 4 10 0 7798.11 8490.51 221.64 o 5 10 0 3106.76 3060.27 102.40 o 6 10 0 4044.36 4323.48 138.77 o 7 10 0 3799.86 4086.70 129.69 o 1 11 0 4903.39 5365.95 123.04 o 2 11 0 896.20 742.29 54.17 o 3 11 0 2272.02 2219.54 104.83 o 4 11 0 414.28 304.71 63.51 o 5 11 0 658.32 506.18 81.56 o 6 11 0 595.95 505.22 86.78 o 7 11 0 1375.27 1412.48 132.14 o 0 12 0 7254.18 8739.78 299.88 o 1 12 0 514.12 501.27 50.22 o 2 12 0 5273.48 6005.62 138.65 o 3 12 0 298.80 268.05 53.44 o 4 12 0 1998.84 1815.10 129.72 o 5 12 0 1540.38 1507.23 160.91 o 6 12 0 516.47 363.55 81.91 o 1 13 0 13099.26 16011.45 265.76 o 2 13 0 2534.68 2888.05 159.76 o 3 13 0 12238.59 15258.12 414.06 o 4 13 0 898.91 740.45 100.77 o 5 13 0 3737.49 3636.69 194.35 o 0 14 0 3719.17 4112.67 213.54 o 1 14 0 1172.94 1396.16 105.92 o 2 14 0 8292.48 10617.11 258.08 o 3 14 0 1165.55 1264.94 124.49 o 4 14 0 1385.70 1267.72 133.79 o 1 15 0 1189.51 1257.27 108.96 o -10 1 1 2275.37 2358.50 164.39 o -9 1 1 1450.06 1247.56 118.74 o -8 1 1 3968.37 4425.87 110.73 o -7 1 1 7992.08 8497.39 190.39 o -6 1 1 11604.13 12569.77 143.41 o -5 1 1 11629.68 12387.53 263.22 o -4 1 1 7005.05 7704.15 84.97 o -3 1 1 50847.47 50487.37 430.28 o -2 1 1 180.87 180.93 14.25 o -1 1 1 33426.80 32135.17 701.67 o 0 1 1 525.96 626.30 12.20 o 1 1 1 16609.35 17163.81 244.36 o 2 1 1 30.76 24.38 5.91 o 3 1 1 35323.30 34834.47 543.73 o 4 1 1 1288.12 1418.81 49.42 o 5 1 1 20488.69 21336.42 262.11 o 6 1 1 12662.42 13290.45 384.83 o 7 1 1 9852.71 9903.15 338.38 o 8 1 1 9082.88 9161.40 218.58 o 9 1 1 1282.21 1197.79 117.73 o -10 2 1 130.21 92.02 64.78 o 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1 10824.22 11280.43 141.35 o 4 3 1 81.35 62.25 13.00 o 5 3 1 2596.76 2609.80 59.78 o 6 3 1 3397.44 3362.32 94.77 o 7 3 1 1250.33 1067.77 59.70 o 8 3 1 1845.50 1622.49 99.94 o 9 3 1 242.14 193.77 53.97 o -10 4 1 1189.40 1067.81 128.84 o -9 4 1 1724.12 1973.77 100.46 o -8 4 1 1359.91 1252.67 71.08 o -7 4 1 1967.51 1832.21 66.45 o -6 4 1 7825.17 8044.31 196.09 o -5 4 1 2708.58 2566.56 50.42 o -4 4 1 15046.49 15563.93 116.68 o -3 4 1 3913.30 4324.78 97.91 o -2 4 1 8793.69 9259.93 102.18 o -1 4 1 1975.40 2180.16 34.97 o 0 4 1 7306.92 6861.74 75.46 o 1 4 1 32.22 64.15 8.42 o 2 4 1 14632.08 15675.02 371.62 o 3 4 1 157.36 145.84 12.88 o 4 4 1 24996.89 27312.52 513.01 o 5 4 1 3422.11 3447.42 75.26 o 6 4 1 14802.03 15582.92 202.90 o 7 4 1 5402.21 5599.26 195.49 o 8 4 1 826.54 694.38 70.49 o 9 4 1 4272.84 4345.32 170.36 o -9 5 1 1037.66 1067.32 76.29 o -8 5 1 6463.31 7179.94 157.10 o -7 5 1 5547.30 5706.21 156.43 o -6 5 1 24547.29 25835.39 240.33 o -5 5 1 24470.51 24819.61 278.74 o -4 5 1 6626.53 7131.76 86.31 o -3 5 1 61400.00 59023.28 447.74 o -2 5 1 939.41 908.96 28.60 o -1 5 1 63539.09 57106.69 611.24 o 0 5 1 2267.93 2426.85 53.76 o 1 5 1 23379.28 23056.34 376.93 o 2 5 1 2698.56 3079.12 82.61 o 3 5 1 22988.02 23773.42 508.72 o 4 5 1 1435.39 1421.35 41.56 o 5 5 1 17926.08 18735.09 184.28 o 6 5 1 13023.18 14030.01 278.87 o 7 5 1 8891.56 9507.16 302.48 o 8 5 1 6922.23 7842.43 491.89 o 9 5 1 1835.38 1606.14 110.91 o -9 6 1 331.12 277.52 49.48 o -8 6 1 1142.66 1174.98 75.38 o -7 6 1 2916.04 2954.35 100.25 o -6 6 1 2742.61 2748.21 71.83 o -5 6 1 1950.45 1825.92 52.94 o -4 6 1 5146.71 5332.63 97.85 o -3 6 1 91.75 69.27 14.20 o -2 6 1 18200.51 18474.46 162.97 o -1 6 1 3536.24 3832.64 65.92 o 0 6 1 2613.29 2542.51 54.44 o 1 6 1 486.18 450.92 21.44 o 2 6 1 8572.54 8484.50 157.08 o 3 6 1 139.07 104.38 14.37 o 4 6 1 8088.12 8163.83 120.09 o 5 6 1 1407.53 1237.51 71.02 o 6 6 1 3037.18 2998.72 104.85 o 7 6 1 7354.48 7715.23 254.31 o 8 6 1 1386.43 1413.77 106.03 o 9 6 1 632.37 579.96 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1 33.24 44.17 42.87 o -7 11 1 2975.06 3044.32 138.17 o -6 11 1 3446.36 3425.71 138.05 o -5 11 1 10106.61 11229.12 261.38 o -4 11 1 3257.36 3252.31 108.20 o -3 11 1 10648.79 11123.91 188.21 o -2 11 1 107.81 90.68 25.95 o -1 11 1 12872.25 13774.39 177.23 o 0 11 1 17.10 16.88 21.61 o 1 11 1 15575.00 17307.11 339.72 o 2 11 1 102.95 80.44 27.90 o 3 11 1 9865.67 10567.14 210.42 o 4 11 1 1563.45 1484.81 98.41 o 5 11 1 14245.75 17352.07 522.44 o 6 11 1 4807.51 5831.88 202.83 o -6 12 1 4352.15 4383.01 330.70 o -5 12 1 3888.54 3992.94 197.78 o -4 12 1 13655.30 16156.63 442.68 o -3 12 1 1528.03 1470.81 93.21 o -2 12 1 11904.87 13649.51 224.08 o -1 12 1 264.80 234.21 39.69 o 0 12 1 13707.83 16776.80 435.60 o 1 12 1 60.43 1.62 28.29 o 2 12 1 6376.50 6774.33 323.84 o 3 12 1 255.75 137.25 52.27 o 4 12 1 7375.30 8082.59 261.43 o 5 12 1 2841.41 3116.44 176.08 o -5 13 1 339.90 328.73 76.94 o -4 13 1 5.23 22.36 45.19 o -3 13 1 34.26 16.15 43.69 o -2 13 1 26.91 9.07 34.00 o -1 13 1 66.52 75.21 34.64 o 0 13 1 1.11 14.07 32.58 o 1 13 1 53.67 75.79 43.48 o 2 13 1 135.31 112.66 48.12 o 3 13 1 4.17 21.95 52.76 o 4 13 1 18.50 1.93 52.12 o -4 14 1 7121.55 8491.29 521.01 o -3 14 1 903.88 885.64 89.75 o -2 14 1 6404.09 8167.70 222.98 o -1 14 1 31.82 59.11 41.11 o 0 14 1 5418.16 5896.42 152.77 o 1 14 1 56.35 31.12 48.66 o 2 14 1 5633.39 6278.01 235.25 o 3 14 1 589.08 520.67 93.12 o -1 15 1 8688.61 10740.59 246.84 o 0 15 1 43.54 57.19 54.00 o 1 15 1 7996.85 9710.88 252.42 o -10 0 2 2443.06 2158.81 228.59 o -9 0 2 20857.34 23688.27 572.91 o -8 0 2 8064.89 8659.70 298.54 o -7 0 2 16203.03 17757.06 279.42 o -6 0 2 25445.19 26632.08 287.67 o -5 0 2 1880.67 2057.47 65.67 o -4 0 2 58128.25 54673.02 974.95 o -3 0 2 1980.31 1930.59 49.99 o -2 0 2 14634.51 15542.88 180.84 o -1 0 2 500.71 549.00 18.42 o 0 0 2 124163.05 93236.04 2066.76 o 1 0 2 22.47 89.05 13.67 o 2 0 2 18437.89 18546.28 444.44 o 3 0 2 1657.24 1554.26 136.00 o 4 0 2 15274.74 15248.92 799.51 o 5 0 2 10805.82 11101.50 910.64 o 6 0 2 15520.29 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