#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/80/2008059.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_2008059_Fobs loop_ _publ_author_name 'Vizcayno, C.' 'Garcia-Gonzalez, M. T.' _publ_section_title ; Na~2~Mg(SO~4~)~2~.4H~2~O, the Mg end-member of the bloedite-type of mineral ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 8 _journal_page_last 11 _journal_volume 55 _journal_year 1999 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _exptl_crystal_F_000 340.00 _[local]_cod_data_source_file br1219sup2.hkl _[local]_cod_data_source_block bloe #BEGIN Tags that were not found in dictionaries: _shelx_title ' bloe' _shelx_refln_list_code 4 _shelx_f_calc_maximum 100.06 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 2 0 0 126.89 150.32 0.32 o 4 0 0 10011.87 7758.82 3.24 o 6 0 0 28.49 17.23 0.22 o 8 0 0 1977.03 2098.47 2.48 o 10 0 0 854.57 847.52 1.82 o 12 0 0 34.60 29.30 0.44 o 1 1 0 0.02 2.35 0.04 o 2 1 0 3957.85 3678.87 1.71 o 3 1 0 1430.55 1636.69 1.34 o 4 1 0 2.30 0.44 0.06 o 5 1 0 1963.92 2142.81 1.96 o 6 1 0 1546.41 1692.33 1.92 o 7 1 0 123.70 144.27 0.62 o 8 1 0 679.17 683.92 1.43 o 9 1 0 7.23 8.31 0.18 o 10 1 0 78.46 85.18 0.43 o 11 1 0 616.02 611.14 1.18 o 12 1 0 131.01 121.90 0.58 o 0 2 0 1266.66 1332.85 1.08 o 1 2 0 276.13 308.68 0.38 o 2 2 0 689.54 826.72 0.96 o 3 2 0 139.81 143.82 0.44 o 4 2 0 289.62 261.48 0.66 o 5 2 0 13.98 14.44 0.14 o 6 2 0 1480.58 1595.79 1.94 o 7 2 0 335.79 356.24 0.70 o 8 2 0 124.29 133.66 0.47 o 9 2 0 0.21 0.49 0.11 o 10 2 0 297.23 295.01 0.79 o 11 2 0 20.25 22.30 0.27 o 12 2 0 336.47 345.43 0.97 o 1 3 0 520.98 504.14 0.60 o 2 3 0 16.67 7.53 0.13 o 3 3 0 1035.10 1157.79 1.41 o 4 3 0 1417.67 1493.13 1.72 o 5 3 0 289.14 299.61 0.83 o 6 3 0 2516.40 2475.76 2.55 o 7 3 0 3752.67 3697.58 2.36 o 8 3 0 1393.72 1405.00 2.19 o 9 3 0 129.73 130.90 0.52 o 10 3 0 1078.77 1077.59 2.18 o 11 3 0 112.62 109.14 0.54 o 12 3 0 75.31 68.83 0.46 o 0 4 0 1246.76 1218.61 1.50 o 1 4 0 5894.54 5420.28 2.27 o 2 4 0 182.14 214.86 0.46 o 3 4 0 751.83 724.14 1.26 o 4 4 0 223.38 251.55 0.78 o 5 4 0 3919.93 3931.52 3.24 o 6 4 0 503.42 504.34 1.24 o 7 4 0 183.61 179.77 0.79 o 8 4 0 716.36 693.33 1.14 o 9 4 0 1977.98 1925.78 2.02 o 10 4 0 4.30 2.79 0.18 o 11 4 0 19.14 20.33 0.28 o 1 5 0 267.78 276.57 0.59 o 2 5 0 279.12 278.51 0.60 o 3 5 0 704.63 735.14 0.99 o 4 5 0 57.20 60.09 0.31 o 5 5 0 213.62 196.87 0.57 o 6 5 0 0.58 3.01 0.18 o 7 5 0 439.46 422.43 0.90 o 8 5 0 46.48 39.54 0.45 o 9 5 0 18.77 17.70 0.25 o 10 5 0 83.64 77.48 0.47 o 11 5 0 605.07 562.90 1.27 o 0 6 0 48.15 46.24 0.40 o 1 6 0 727.04 747.39 1.50 o 2 6 0 303.64 300.95 0.69 o 3 6 0 618.04 584.77 0.98 o 4 6 0 184.58 179.03 0.57 o 5 6 0 28.77 23.11 0.24 o 6 6 0 231.76 231.53 0.69 o 7 6 0 335.23 328.36 0.84 o 8 6 0 5.00 5.82 0.18 o 9 6 0 49.54 46.79 0.38 o 10 6 0 87.59 87.56 0.74 o 1 7 0 1600.66 1603.25 1.71 o 2 7 0 220.96 230.48 0.67 o 3 7 0 277.51 287.89 0.75 o 4 7 0 220.85 215.02 0.67 o 5 7 0 98.41 89.34 0.45 o 6 7 0 101.01 99.32 0.49 o 7 7 0 1179.24 1207.59 2.44 o 8 7 0 92.03 93.78 0.53 o 9 7 0 3.61 3.44 0.19 o 0 8 0 372.01 379.64 1.29 o 1 8 0 673.43 679.91 1.23 o 2 8 0 83.51 91.01 0.66 o 3 8 0 213.44 205.78 0.70 o 4 8 0 1290.29 1315.72 2.50 o 5 8 0 10.11 11.60 0.23 o 6 8 0 13.71 15.79 0.26 o 7 8 0 16.35 14.22 0.26 o 1 9 0 77.41 76.60 0.46 o 2 9 0 0.36 0.89 0.14 o 3 9 0 115.19 116.94 0.58 o 4 9 0 10.23 10.00 0.23 o 5 9 0 11.05 10.05 0.24 o -12 0 1 363.95 370.44 1.38 o -10 0 1 14.64 10.37 0.26 o -8 0 1 946.74 1036.75 1.75 o -6 0 1 1040.38 1145.01 1.56 o -4 0 1 9432.48 8477.51 3.47 o -2 0 1 4511.61 4014.54 1.87 o 0 0 1 13.19 8.76 0.09 o 2 0 1 4.90 26.72 0.18 o 4 0 1 3673.61 3832.14 2.53 o 6 0 1 190.73 199.62 0.70 o 8 0 1 103.24 112.57 0.63 o 10 0 1 1062.55 997.47 2.08 o 12 0 1 523.89 520.17 1.70 o -13 1 1 0.69 1.48 0.26 o -12 1 1 443.63 443.36 1.51 o -11 1 1 224.98 231.78 1.03 o -10 1 1 49.05 40.93 0.44 o -9 1 1 204.21 212.94 0.88 o -8 1 1 1241.10 1327.90 2.00 o -7 1 1 188.13 216.01 0.75 o -6 1 1 1957.34 2337.66 2.26 o -5 1 1 490.87 547.40 1.00 o -4 1 1 3.60 13.79 0.16 o -3 1 1 280.67 313.63 0.62 o -2 1 1 2004.10 1774.11 1.32 o -1 1 1 187.62 186.60 0.40 o 0 1 1 2715.09 2493.32 1.42 o 1 1 1 592.12 578.18 0.73 o 2 1 1 6305.44 5429.85 2.49 o 3 1 1 22.35 31.20 0.23 o 4 1 1 110.69 96.35 0.42 o 5 1 1 596.85 630.85 1.15 o 6 1 1 988.29 977.29 1.56 o 7 1 1 544.86 548.29 1.27 o 8 1 1 14.27 16.94 0.29 o 9 1 1 0.01 0.49 0.16 o 10 1 1 804.03 779.04 1.85 o 11 1 1 33.72 31.89 0.44 o 12 1 1 5.57 4.15 0.27 o -12 2 1 102.23 94.66 0.74 o -11 2 1 18.06 18.17 0.36 o -10 2 1 287.16 285.86 1.09 o -9 2 1 793.90 827.81 1.74 o -8 2 1 181.45 208.17 0.82 o -7 2 1 199.74 223.30 0.79 o -6 2 1 4497.22 4773.31 3.36 o -5 2 1 3545.46 3989.86 2.84 o -4 2 1 213.84 242.77 0.65 o -3 2 1 564.29 551.56 0.90 o -2 2 1 4917.94 4191.12 2.30 o -1 2 1 4230.93 3826.11 2.10 o 0 2 1 9295.36 7546.19 2.93 o 1 2 1 171.10 214.07 0.52 o 2 2 1 1959.17 1824.16 1.60 o 3 2 1 1090.23 1037.48 1.31 o 4 2 1 739.26 711.33 1.17 o 5 2 1 729.06 757.37 1.32 o 6 2 1 8.36 11.53 0.21 o 7 2 1 498.69 497.10 1.24 o 8 2 1 3567.42 3452.07 3.47 o 9 2 1 767.87 757.19 1.74 o 10 2 1 82.50 76.31 0.62 o 11 2 1 44.40 44.89 0.52 o 12 2 1 153.97 148.65 0.95 o -12 3 1 103.61 97.02 0.76 o -11 3 1 875.54 871.47 2.07 o -10 3 1 256.11 249.42 1.06 o -9 3 1 562.02 585.59 1.51 o -8 3 1 670.28 674.69 1.54 o -7 3 1 208.99 230.28 0.84 o -6 3 1 255.22 263.05 0.84 o -5 3 1 375.57 371.00 0.93 o -4 3 1 593.95 679.30 1.17 o -3 3 1 36.65 25.84 0.24 o -2 3 1 750.67 865.45 1.20 o -1 3 1 147.88 171.93 0.53 o 0 3 1 462.40 521.42 0.91 o 1 3 1 45.78 59.33 0.32 o 2 3 1 2823.00 2910.42 2.27 o 3 3 1 3615.78 3690.85 2.71 o 4 3 1 242.26 282.85 0.80 o 5 3 1 1976.13 1954.60 2.24 o 6 3 1 785.41 782.06 1.51 o 7 3 1 3.77 5.71 0.21 o 8 3 1 171.81 168.60 0.81 o 9 3 1 305.19 300.96 1.14 o 10 3 1 36.11 35.06 0.45 o 11 3 1 122.18 122.82 0.83 o -12 4 1 204.26 204.76 1.12 o -11 4 1 21.89 24.14 0.41 o -10 4 1 665.28 664.79 1.77 o -9 4 1 214.14 221.36 0.98 o -8 4 1 48.49 51.57 0.47 o -7 4 1 83.19 87.51 0.57 o -6 4 1 153.48 153.01 0.69 o -5 4 1 9.70 10.62 0.22 o -4 4 1 29.45 18.04 0.24 o -3 4 1 154.60 149.85 0.59 o -2 4 1 942.69 905.40 1.38 o -1 4 1 106.15 134.57 0.53 o 0 4 1 84.71 89.13 0.43 o 1 4 1 453.23 510.68 1.03 o 2 4 1 427.50 456.47 1.01 o 3 4 1 148.22 150.49 0.61 o 4 4 1 383.00 395.37 1.03 o 5 4 1 0.47 2.77 0.16 o 6 4 1 1035.45 998.89 1.81 o 7 4 1 133.35 131.30 0.71 o 8 4 1 184.00 178.50 0.87 o 9 4 1 38.01 34.26 0.43 o 10 4 1 5.99 6.49 0.27 o 11 4 1 39.63 38.28 0.50 o -11 5 1 60.43 59.78 0.63 o -10 5 1 0.17 0.54 0.21 o -9 5 1 509.13 527.59 1.57 o -8 5 1 730.93 619.56 1.62 o -7 5 1 1241.03 1251.85 2.18 o -6 5 1 80.75 77.53 0.54 o -5 5 1 307.20 324.80 1.02 o -4 5 1 149.56 146.54 0.67 o -3 5 1 83.38 90.44 0.52 o -2 5 1 208.53 232.52 0.78 o -1 5 1 703.94 713.16 1.35 o 0 5 1 419.70 404.19 1.02 o 1 5 1 4462.87 4423.67 3.39 o 2 5 1 176.16 182.26 0.71 o 3 5 1 536.25 580.86 1.30 o 4 5 1 134.99 124.56 0.64 o 5 5 1 1143.28 1114.82 1.95 o 6 5 1 127.81 125.65 0.70 o 7 5 1 761.65 758.27 1.76 o 8 5 1 241.94 232.79 1.04 o 9 5 1 1110.82 1060.10 2.30 o 10 5 1 112.78 103.23 0.79 o -10 6 1 263.67 243.05 1.18 o -9 6 1 209.28 208.84 1.05 o -8 6 1 41.66 41.38 0.48 o -7 6 1 129.87 137.70 0.79 o -6 6 1 55.23 48.35 0.47 o -5 6 1 2194.94 2214.56 2.86 o -4 6 1 491.31 495.70 1.32 o -3 6 1 217.78 238.99 0.90 o -2 6 1 26.24 30.73 0.35 o -1 6 1 4515.94 4455.31 3.73 o 0 6 1 29.74 33.66 0.36 o 1 6 1 62.34 52.41 0.43 o 2 6 1 65.53 62.83 0.47 o 3 6 1 1029.10 1054.95 1.91 o 4 6 1 1148.37 1131.22 2.04 o 5 6 1 3.24 5.42 0.23 o 6 6 1 14.68 19.40 0.33 o 7 6 1 254.15 251.72 1.09 o 8 6 1 0.43 0.94 0.22 o 9 6 1 742.71 722.74 2.00 o -9 7 1 262.50 263.70 1.25 o -8 7 1 0.89 1.72 0.22 o -7 7 1 6.81 7.75 0.28 o -6 7 1 0.81 0.30 0.19 o -5 7 1 257.26 251.67 1.06 o -4 7 1 31.04 29.09 0.39 o -3 7 1 394.10 390.69 1.25 o -2 7 1 68.33 70.65 0.55 o -1 7 1 309.11 302.80 1.08 o 0 7 1 281.24 269.39 1.02 o 1 7 1 155.09 154.45 0.78 o 2 7 1 7.45 7.64 0.23 o 3 7 1 25.99 34.51 0.40 o 4 7 1 1.05 1.37 0.19 o 5 7 1 191.08 185.53 0.93 o 6 7 1 57.19 55.75 0.56 o 7 7 1 50.04 43.46 0.52 o 8 7 1 14.62 13.17 0.34 o -7 8 1 3.55 3.42 0.28 o -6 8 1 68.18 72.76 0.66 o -5 8 1 679.90 662.61 1.83 o -4 8 1 5.32 6.53 0.27 o -3 8 1 93.55 90.47 0.68 o -2 8 1 105.79 103.89 0.71 o -1 8 1 956.19 942.75 2.06 o 0 8 1 15.91 19.80 0.36 o 1 8 1 217.30 204.49 0.98 o 2 8 1 32.68 30.51 0.41 o 3 8 1 106.77 105.48 0.73 o 4 8 1 61.21 58.01 0.58 o 5 8 1 146.82 126.74 0.83 o 6 8 1 137.16 133.38 0.89 o -5 9 1 166.88 167.17 1.01 o -4 9 1 521.54 526.69 1.73 o -3 9 1 0.43 0.32 0.20 o -2 9 1 142.83 142.84 0.90 o -1 9 1 0.08 1.35 0.21 o 0 9 1 123.17 125.93 0.84 o 1 9 1 710.52 718.21 1.96 o 2 9 1 403.33 406.93 1.49 o 3 9 1 1.76 0.01 0.06 o 4 9 1 45.26 40.89 0.54 o -12 0 2 372.03 359.44 1.38 o -10 0 2 15.36 18.34 0.32 o -8 0 2 832.27 834.91 1.63 o -6 0 2 8862.75 8289.26 4.45 o -4 0 2 4877.94 4590.38 2.87 o -2 0 2 3677.05 3155.08 2.13 o 0 0 2 2944.80 2599.54 1.91 o 2 0 2 2887.80 2364.62 2.00 o 4 0 2 10.02 10.37 0.19 o 6 0 2 45.71 42.53 0.37 o 8 0 2 3594.92 3465.33 3.64 o 10 0 2 595.82 603.57 1.72 o -13 1 2 30.34 32.81 0.49 o -12 1 2 0.87 0.00 0.06 o -11 1 2 328.25 342.48 1.27 o -10 1 2 108.56 105.88 0.68 o -9 1 2 1077.05 1158.18 2.05 o -8 1 2 31.44 41.65 0.39 o -7 1 2 0.17 1.24 0.13 o -6 1 2 185.92 234.97 0.76 o -5 1 2 13.08 19.72 0.24 o -4 1 2 89.83 94.54 0.43 o -3 1 2 146.13 122.58 0.45 o -2 1 2 282.13 316.16 0.69 o -1 1 2 314.12 273.62 0.64 o 0 1 2 3208.22 2710.29 2.00 o 1 1 2 327.41 368.02 0.76 o 2 1 2 8.00 8.82 0.15 o 3 1 2 275.71 291.98 0.77 o 4 1 2 9.00 14.42 0.21 o 5 1 2 484.82 481.46 1.12 o 6 1 2 152.20 160.87 0.71 o 7 1 2 449.20 448.85 1.25 o 8 1 2 136.88 131.80 0.74 o 9 1 2 44.36 43.07 0.47 o 10 1 2 223.45 217.58 1.05 o 11 1 2 3.31 4.09 0.26 o -12 2 2 53.73 58.20 0.60 o -11 2 2 1.58 2.50 0.24 o -10 2 2 214.72 240.82 1.03 o -9 2 2 86.44 99.12 0.64 o -8 2 2 381.36 404.81 1.17 o -7 2 2 111.01 131.23 0.64 o -6 2 2 12.33 12.22 0.22 o -5 2 2 263.18 288.41 0.82 o -4 2 2 859.00 918.31 1.38 o -3 2 2 303.55 325.44 0.78 o -2 2 2 33.80 62.57 0.34 o -1 2 2 2329.93 2439.59 2.02 o 0 2 2 760.05 811.48 1.17 o 1 2 2 1346.87 1446.64 1.61 o 2 2 2 916.41 972.65 1.38 o 3 2 2 440.86 458.42 1.00 o 4 2 2 71.50 81.80 0.46 o 5 2 2 222.26 231.88 0.81 o 6 2 2 315.93 317.22 1.01 o 7 2 2 0.95 1.78 0.16 o 8 2 2 19.56 23.16 0.35 o 9 2 2 2.78 3.47 0.23 o 10 2 2 7.82 9.17 0.30 o 11 2 2 8.44 8.93 0.31 o -12 3 2 221.69 230.76 1.16 o -11 3 2 264.34 261.65 1.16 o -10 3 2 722.23 727.95 1.81 o -9 3 2 14.02 15.15 0.32 o -8 3 2 316.56 357.93 1.14 o -7 3 2 1.38 2.60 0.18 o -6 3 2 2.20 6.09 0.19 o -5 3 2 230.50 214.34 0.75 o -4 3 2 81.85 73.00 0.43 o -3 3 2 485.91 487.19 1.03 o -2 3 2 123.30 122.69 0.52 o -1 3 2 167.69 199.41 0.64 o 0 3 2 4274.82 4027.29 2.85 o 1 3 2 2417.94 2523.31 2.31 o 2 3 2 851.93 904.92 1.43 o 3 3 2 230.61 205.57 0.72 o 4 3 2 2300.79 2340.70 2.52 o 5 3 2 52.40 56.40 0.43 o 6 3 2 117.26 113.81 0.64 o 7 3 2 9.33 11.16 0.27 o 8 3 2 1433.48 1392.93 2.43 o 9 3 2 214.44 216.97 1.03 o 10 3 2 32.41 31.72 0.45 o -11 4 2 527.62 539.06 1.71 o -10 4 2 5.35 7.17 0.29 o -9 4 2 153.98 160.80 0.87 o -8 4 2 316.45 327.97 1.14 o -7 4 2 2060.50 1935.41 2.63 o -6 4 2 873.34 811.91 1.63 o -5 4 2 5.91 6.47 0.20 o -4 4 2 580.77 588.21 1.28 o -3 4 2 1336.16 1332.43 1.85 o -2 4 2 91.81 88.40 0.47 o -1 4 2 494.65 503.47 1.10 o 0 4 2 311.58 312.93 0.88 o 1 4 2 729.83 690.50 1.32 o 2 4 2 1269.17 1302.55 1.87 o 3 4 2 1912.92 1975.19 2.37 o 4 4 2 28.15 31.99 0.34 o 5 4 2 201.69 193.86 0.82 o 6 4 2 180.84 184.86 0.84 o 7 4 2 1282.15 1251.06 2.28 o 8 4 2 327.19 322.44 1.23 o 9 4 2 1.17 1.60 0.22 o 10 4 2 155.41 152.24 0.96 o -11 5 2 1.80 1.70 0.26 o -10 5 2 29.57 28.33 0.44 o -9 5 2 141.19 154.17 0.88 o -8 5 2 67.83 61.53 0.55 o -7 5 2 34.84 36.09 0.42 o -6 5 2 97.91 100.50 0.63 o -5 5 2 541.51 562.92 1.39 o -4 5 2 2.27 2.49 0.18 o -3 5 2 629.94 644.37 1.40 o -2 5 2 130.99 137.65 0.65 o -1 5 2 454.30 455.67 1.15 o 0 5 2 196.92 197.91 0.77 o 1 5 2 194.23 210.65 0.80 o 2 5 2 330.57 340.59 1.04 o 3 5 2 19.71 14.26 0.27 o 4 5 2 4.41 5.32 0.21 o 5 5 2 99.40 121.19 0.70 o 6 5 2 3.03 3.71 0.22 o 7 5 2 746.50 723.57 1.82 o 8 5 2 60.86 55.14 0.57 o 9 5 2 8.18 8.15 0.29 o -10 6 2 314.19 287.86 1.30 o -9 6 2 84.75 88.03 0.71 o -8 6 2 449.76 453.43 1.50 o -7 6 2 352.17 372.75 1.31 o -6 6 2 302.63 309.50 1.15 o -5 6 2 316.57 311.52 1.12 o -4 6 2 0.66 0.70 0.16 o -3 6 2 230.86 225.94 0.92 o -2 6 2 668.59 668.36 1.54 o -1 6 2 28.50 29.35 0.35 o 0 6 2 298.88 307.75 1.04 o 1 6 2 221.34 222.24 0.90 o 2 6 2 30.41 33.15 0.38 o 3 6 2 50.72 43.09 0.43 o 4 6 2 249.71 259.68 1.04 o 5 6 2 12.21 9.98 0.28 o 6 6 2 455.24 447.72 1.45 o 7 6 2 106.32 104.80 0.75 o 8 6 2 12.89 13.14 0.35 o -8 7 2 42.22 38.83 0.53 o -7 7 2 489.51 468.84 1.57 o -6 7 2 52.86 50.54 0.54 o -5 7 2 1341.80 1348.27 2.48 o -4 7 2 5.13 3.77 0.29 o -3 7 2 175.08 173.05 0.88 o -2 7 2 22.83 26.91 0.38 o -1 7 2 1328.05 1326.99 2.33 o 0 7 2 6.47 7.46 0.26 o 1 7 2 1404.80 1421.50 2.44 o 2 7 2 0.54 0.10 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