#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/37/2013741.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_2013741_Fobs loop_ _publ_author_name 'Liao, Wuping' 'Dronskowski, Richard' _publ_section_title ; Europium(II) oxyiodide ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i23 _journal_page_last i24 _journal_volume 60 _journal_year 2004 _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 10.4038 _cell_length_b 10.4038 _cell_length_c 7.9959 _exptl_crystal_F_000 1156.00 _reflns_d_resolution_high 0.7497 _[local]_cod_data_source_file bc1033Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' p63mc in P6(3)mc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 490.64 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' '-x, -y, z+1/2' 'y, -x+y, z+1/2' 'x-y, x, z+1/2' '-y, -x, z' '-x+y, y, z' 'x, x-y, z' 'y, x, z+1/2' 'x-y, -y, z+1/2' '-x, -x+y, 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 0 1 -10 1704.37 1009.80 217.67 o -1 2 -10 1.76 -154.04 154.04 o 0 2 -10 326.19 -105.53 143.29 o -1 3 -10 798.49 367.99 113.58 o 0 3 -10 2071.89 1885.79 295.58 o -2 4 -10 12780.12 12998.53 994.15 o -1 4 -10 650.31 405.83 123.41 o 0 4 -10 419.01 329.98 170.13 o 0 1 -9 427.36 17.30 178.08 o 0 2 -9 3779.06 3216.06 431.90 o -1 3 -9 4367.95 3298.13 224.45 o 0 3 -9 22629.12 26249.79 1329.06 o -1 4 -9 1029.56 948.56 113.53 o 0 4 -9 2464.39 2082.37 211.17 o -2 5 -9 3449.58 2688.12 180.08 o -1 5 -9 5898.77 4486.15 223.39 o 0 5 -9 6091.49 5649.24 662.82 o -2 6 -9 65.86 -48.97 100.63 o -1 6 -9 3920.50 3118.30 159.44 o 0 6 -9 7842.89 6587.44 757.39 o -3 7 -9 1716.75 1249.24 146.22 o -2 7 -9 11655.84 11052.88 508.43 o 0 1 -8 1697.77 1284.26 186.32 o -1 2 -8 1151.37 1030.63 178.52 o 0 2 -8 34743.80 37473.19 2522.15 o -1 3 -8 3503.27 3084.47 143.72 o 0 3 -8 2277.36 1996.30 159.88 o -2 4 -8 7167.00 6777.20 485.58 o -1 4 -8 2568.96 2493.02 126.72 o 0 4 -8 5079.74 5027.87 282.21 o -2 5 -8 1518.51 1361.58 106.09 o -1 5 -8 1049.63 910.05 106.60 o 0 5 -8 9588.33 9632.40 350.84 o -3 6 -8 9614.76 9228.16 324.00 o -2 6 -8 1043.49 942.93 105.93 o -1 6 -8 9099.76 9388.77 247.52 o 0 6 -8 976.67 1016.02 169.06 o -3 7 -8 863.09 770.15 119.88 o -2 7 -8 1088.42 1109.11 127.53 o -1 7 -8 256.12 255.57 119.36 o 0 7 -8 1349.89 1515.07 237.26 o -4 8 -8 825.00 921.60 192.77 o -3 8 -8 19920.50 21505.81 475.36 o -2 8 -8 3786.94 3700.27 229.00 o -1 8 -8 4391.67 4262.72 225.81 o -4 9 -8 3265.32 3216.81 191.76 o -3 9 -8 545.54 582.42 162.15 o 0 1 -7 16014.91 16746.52 500.77 o 0 2 -7 3485.25 3325.65 208.06 o -1 3 -7 8164.30 8183.25 194.44 o 0 3 -7 24666.45 25010.07 589.55 o -1 4 -7 2092.32 2152.27 105.56 o 0 4 -7 2309.91 2578.94 182.04 o -2 5 -7 32326.63 33239.64 571.74 o -1 5 -7 6664.82 6910.63 181.45 o 0 5 -7 13836.79 14091.04 405.96 o -2 6 -7 3700.29 3688.11 124.79 o -1 6 -7 4272.90 4059.62 160.09 o 0 6 -7 8016.15 8786.69 372.59 o -3 7 -7 3762.73 3825.01 143.03 o -2 7 -7 13175.48 14358.10 344.23 o -1 7 -7 786.73 874.31 107.83 o 0 7 -7 13859.46 15202.92 438.28 o -3 8 -7 4175.83 4202.03 207.66 o -2 8 -7 2579.65 2644.35 145.37 o -1 8 -7 119.58 173.94 103.06 o 0 8 -7 22004.86 24623.38 675.06 o -4 9 -7 2886.05 2976.44 163.20 o -3 9 -7 1073.49 1190.89 144.70 o -2 9 -7 3854.34 4128.81 216.59 o -1 9 -7 2790.85 2952.16 175.08 o 0 9 -7 2804.11 3120.31 240.35 o -4 10 -7 4165.60 4417.49 241.36 o -3 10 -7 1295.19 1738.73 158.87 o 0 1 -6 1037.31 1071.48 145.25 o -1 2 -6 6317.48 6439.56 219.50 o 0 2 -6 805.56 707.65 95.08 o -1 3 -6 20403.13 20304.65 327.35 o 0 3 -6 23633.21 23506.11 480.08 o -2 4 -6 32843.43 33552.69 703.70 o -1 4 -6 531.70 783.50 71.13 o 0 4 -6 4591.67 4623.40 158.73 o -2 5 -6 9407.05 9293.60 165.56 o -1 5 -6 1948.44 2185.09 97.03 o 0 5 -6 39812.08 41573.70 979.12 o -3 6 -6 34020.56 35576.27 773.77 o -2 6 -6 80.59 109.55 66.04 o -1 6 -6 334.00 467.04 82.06 o 0 6 -6 7088.58 7644.86 288.28 o -3 7 -6 8894.10 9166.29 192.23 o -2 7 -6 11741.04 12580.05 249.32 o -1 7 -6 140.61 185.18 85.53 o 0 7 -6 5990.29 6841.59 305.42 o -4 8 -6 7100.23 7541.77 276.14 o -3 8 -6 813.88 1080.96 104.91 o -2 8 -6 14383.67 15433.30 354.25 o -1 8 -6 17109.74 19139.60 509.44 o 0 8 -6 6085.25 7183.53 369.50 o -4 9 -6 130.44 68.55 96.78 o -3 9 -6 4343.75 4285.89 163.54 o -2 9 -6 4006.17 4281.17 166.58 o -1 9 -6 583.98 565.67 122.82 o 0 9 -6 578.89 869.37 238.15 o -5 10 -6 40979.93 44598.16 1173.14 o -4 10 -6 447.50 362.40 110.51 o -3 10 -6 210.10 151.59 110.91 o -2 10 -6 6809.41 7550.39 318.35 o -1 10 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12441.78 280.62 o -2 10 -5 11498.03 12728.56 321.38 o -1 10 -5 222.56 276.37 110.01 o 0 10 -5 22413.07 23823.15 1163.94 o -5 11 -5 7171.71 7259.05 310.49 o -4 11 -5 2531.55 2884.50 199.23 o -3 11 -5 9125.08 10017.02 291.97 o -2 11 -5 1976.90 2180.63 167.26 o -1 11 -5 4764.84 4743.91 333.73 o -5 12 -5 5496.78 5367.64 389.88 o -4 12 -5 3895.75 4165.79 315.85 o 0 0 -4 67597.14 62952.64 3920.05 o 0 1 -4 11886.72 11540.84 253.03 o -1 2 -4 8307.01 8236.46 211.13 o 0 2 -4 19510.28 18817.28 427.27 o -1 3 -4 49159.54 49898.09 699.43 o 0 3 -4 19425.30 18550.71 384.59 o -2 4 -4 20343.55 20054.51 378.34 o -1 4 -4 1717.04 2057.38 94.20 o 0 4 -4 18847.81 17853.49 379.78 o -2 5 -4 46168.01 47568.66 624.46 o -1 5 -4 3391.02 3697.52 99.57 o 0 5 -4 92096.77 94292.20 2065.35 o -3 6 -4 15892.35 15739.83 313.73 o -2 6 -4 163.16 348.58 56.22 o -1 6 -4 5286.38 5579.38 125.01 o 0 6 -4 11893.13 11508.24 283.67 o -3 7 -4 19102.23 19907.52 306.18 o -2 7 -4 7644.26 7416.09 147.36 o -1 7 -4 149.49 242.57 60.69 o 0 7 -4 26569.91 25963.46 553.09 o -4 8 -4 9310.33 9425.82 272.55 o -3 8 -4 9070.08 9548.59 187.25 o -2 8 -4 30865.13 31427.82 501.87 o -1 8 -4 7585.46 7770.70 163.88 o 0 8 -4 25439.41 27021.78 626.02 o -4 9 -4 1257.49 1436.13 90.15 o -3 9 -4 4549.86 4660.71 146.52 o -2 9 -4 7820.52 8047.09 185.00 o -1 9 -4 1172.35 1295.05 101.11 o 0 9 -4 511.62 462.40 144.72 o -5 10 -4 16229.34 16560.82 458.43 o -4 10 -4 3408.05 3952.45 149.85 o -3 10 -4 5434.27 6040.60 222.79 o -2 10 -4 4685.90 4709.64 220.65 o -1 10 -4 4113.41 4343.18 230.41 o 0 10 -4 27358.82 27790.61 951.51 o -5 11 -4 5979.02 6121.89 227.75 o -4 11 -4 410.59 554.08 92.88 o -3 11 -4 19217.46 18980.62 424.89 o -2 11 -4 1030.02 1195.51 124.93 o -1 11 -4 3476.03 3491.65 228.32 o 0 11 -4 919.70 832.42 281.12 o -6 12 -4 0.42 66.38 130.87 o -5 12 -4 2846.75 2991.04 166.75 o -4 12 -4 5137.65 5438.33 328.21 o -3 12 -4 4282.70 4552.58 258.67 o -2 12 -4 8233.83 8328.03 384.38 o 0 1 -3 86954.84 82135.98 1736.51 o 0 2 -3 63675.66 63771.69 1223.86 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9598.84 315.36 o -4 10 -1 288.31 339.12 78.54 o -3 10 -1 4947.89 4750.38 144.94 o -2 10 -1 41857.63 40027.80 663.04 o -1 10 -1 1188.53 1155.09 89.29 o 0 10 -1 30458.01 29111.02 632.18 o -5 11 -1 1789.95 1885.55 117.29 o -4 11 -1 1599.95 1448.18 106.33 o -3 11 -1 13393.05 12446.87 263.45 o -2 11 -1 4711.40 4427.23 153.44 o -1 11 -1 12567.86 11960.44 252.71 o 0 11 -1 10204.21 9586.08 307.14 o -5 12 -1 1423.06 1398.31 115.27 o -4 12 -1 12344.72 11012.61 293.37 o -3 12 -1 871.20 791.62 103.85 o -2 12 -1 2001.23 1908.51 119.04 o -1 12 -1 287.11 207.97 93.17 o -6 13 -1 9378.58 8438.94 369.29 o -5 13 -1 27800.28 24737.66 570.72 o -4 13 -1 1156.21 1129.25 118.29 o -3 13 -1 5631.25 5153.39 266.34 o 0 1 0 8029.08 8031.36 138.30 o -1 2 0 1986.23 2156.72 86.21 o 0 2 0 8117.29 10741.83 208.68 o -1 3 0 152.36 338.98 37.97 o 0 3 0 65351.70 66579.06 1177.86 o -2 4 0 239918.80 221166.53 3600.39 o -1 4 0 5297.69 5528.61 90.01 o 0 4 0 593.78 1600.07 155.61 o -2 5 0 5249.36 5071.30 89.22 o -1 5 0 3844.48 3988.21 79.75 o 0 5 0 75.85 251.96 61.78 o -3 6 0 240728.72 231301.66 3766.13 o -2 6 0 4196.99 4327.91 87.57 o -1 6 0 4418.54 4906.69 106.19 o 0 6 0 61.91 301.60 130.48 o -3 7 0 2456.37 2564.43 71.64 o -2 7 0 27055.15 27094.03 348.87 o -1 7 0 2.64 11.62 53.48 o 0 7 0 661.24 781.35 91.84 o -4 8 0 4193.92 4389.36 140.71 o -3 8 0 2449.32 2867.49 79.42 o -2 8 0 377.82 545.54 70.07 o -1 8 0 101467.84 99573.67 1353.44 o 0 8 0 5059.03 4568.70 182.32 o -4 9 0 818.67 997.57 76.26 o -3 9 0 3752.23 4013.62 119.85 o -2 9 0 3892.55 3713.95 131.03 o -1 9 0 4714.31 4907.12 144.96 o 0 9 0 7717.48 7623.95 241.34 o -5 10 0 210464.98 198944.17 4234.33 o -4 10 0 1677.58 1699.02 106.59 o -3 10 0 1276.78 1519.30 92.66 o -2 10 0 13705.32 13438.50 250.56 o -1 10 0 39.83 82.55 76.39 o 0 10 0 50.35 96.02 110.01 o -5 11 0 5788.52 5705.21 173.80 o -4 11 0 157.22 354.98 88.84 o -3 11 0 3043.64 2818.08 129.26 o -2 11 0 6.17 57.45 89.54 o -1 11 0 363.42 536.86 88.35 o 0 11 0 3473.94 3111.41 188.72 o -6 12 0 639.16 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