#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/48/2224853.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_2224853_Fobs loop_ _publ_author_name 'Lee, Uk' 'Joo, Hea-Chung' _publ_section_title ; Monolanthanum tripotassium tetrahydrogen decamolybdodicobaltate(III) tridecahydrate ; _journal_coeditor_code BR2132 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i10 _journal_volume 66 _journal_year 2010 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 112.957 _cell_angle_gamma 90.000 _cell_length_a 10.4487 _cell_length_b 18.5980 _cell_length_c 12.3179 _exptl_crystal_F_000 2052.00 _reflns_d_resolution_high 0.7692 _[local]_cod_data_source_file br2132Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' LACO2MO10O38 POM' _shelx_refln_list_code 4 _shelx_f_calc_maximum 703.98 _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' 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 -24 0 5424.36 5586.06 155.06 o 1 -24 0 66.06 114.08 52.10 o 1 -23 0 4832.67 4974.80 141.71 o 2 -23 0 4142.38 4621.52 137.55 o 3 -23 0 2437.10 2548.18 112.87 o 0 -22 0 995.48 1056.57 77.34 o 1 -22 0 4698.07 4916.83 135.22 o 2 -22 0 440.78 391.35 57.56 o 3 -22 0 4879.57 5371.21 147.18 o 4 -22 0 1839.55 1849.24 98.17 o 5 -22 0 1713.94 1628.20 98.84 o 1 -21 0 2037.20 2065.45 91.71 o 2 -21 0 3330.80 3599.44 113.96 o 3 -21 0 26.65 20.43 44.61 o 4 -21 0 1461.61 1627.71 86.91 o 5 -21 0 724.66 842.45 76.99 o 6 -21 0 217.02 282.66 57.21 o 0 -20 0 687.12 801.59 64.05 o 1 -20 0 7526.49 7698.03 153.97 o 2 -20 0 2923.48 3130.39 104.39 o 3 -20 0 10569.19 11081.87 192.63 o 4 -20 0 450.33 527.26 56.54 o 5 -20 0 340.55 457.40 57.90 o 6 -20 0 2373.93 2667.16 110.82 o 7 -20 0 150.94 56.19 53.81 o 1 -19 0 203.90 164.83 44.61 o 2 -19 0 150.37 12.26 38.48 o 3 -19 0 9234.90 9573.11 173.68 o 4 -19 0 8777.62 9430.55 178.39 o 5 -19 0 7397.39 7680.63 169.66 o 6 -19 0 5366.28 5335.44 147.91 o 7 -19 0 3943.13 4376.63 138.56 o 0 -18 0 5254.20 5291.44 119.96 o 1 -18 0 13032.36 13999.42 191.40 o 2 -18 0 7302.01 7899.54 148.19 o 3 -18 0 6924.41 7748.84 150.87 o 4 -18 0 8131.87 8559.40 165.01 o 5 -18 0 1622.24 1911.92 88.63 o 6 -18 0 5457.31 5468.14 144.18 o 7 -18 0 10518.13 11337.57 213.79 o 8 -18 0 2564.52 3004.29 122.76 o 1 -17 0 1072.81 1153.56 60.66 o 2 -17 0 13317.99 13900.94 187.37 o 3 -17 0 8962.92 9591.44 162.77 o 4 -17 0 19003.17 19711.17 239.38 o 5 -17 0 501.87 704.42 63.02 o 6 -17 0 3276.65 3542.89 114.65 o 7 -17 0 871.92 1106.92 76.32 o 8 -17 0 3915.37 4031.29 136.17 o 0 -16 0 18849.69 18535.87 205.24 o 1 -16 0 3262.85 3257.46 88.76 o 2 -16 0 18615.99 19481.51 213.42 o 3 -16 0 20412.04 21484.34 232.62 o 4 -16 0 232.85 336.14 45.98 o 5 -16 0 7833.89 8389.03 159.53 o 6 -16 0 2015.55 2137.84 89.67 o 7 -16 0 272.60 401.88 56.54 o 8 -16 0 1798.83 2010.85 97.49 o 9 -16 0 2337.47 2424.28 109.79 o 1 -15 0 3383.50 3730.18 90.15 o 2 -15 0 10442.79 10849.78 152.80 o 3 -15 0 9095.16 9398.66 147.80 o 4 -15 0 16864.70 17934.68 213.43 o 5 -15 0 1086.75 1010.07 65.09 o 6 -15 0 5235.49 5294.28 130.54 o 7 -15 0 1623.01 1718.33 88.63 o 8 -15 0 2895.59 2905.63 113.25 o 9 -15 0 3452.53 3305.17 124.88 o 0 -14 0 14810.04 14327.96 163.17 o 1 -14 0 16296.60 17499.85 181.32 o 2 -14 0 20556.03 21608.51 205.80 o 3 -14 0 3325.21 3297.37 88.78 o 4 -14 0 1138.39 1422.58 64.76 o 5 -14 0 7227.11 7454.14 141.04 o 6 -14 0 6776.02 6953.48 144.72 o 7 -14 0 1421.69 1497.97 79.76 o 8 -14 0 649.45 643.15 61.32 o 9 -14 0 4066.25 3784.38 132.10 o 10 -14 0 10117.84 10445.11 216.43 o 1 -13 0 26776.22 27384.44 216.72 o 2 -13 0 21492.97 23162.82 207.24 o 3 -13 0 14081.57 14687.85 172.00 o 4 -13 0 3843.45 4127.16 98.38 o 5 -13 0 7125.54 7398.14 135.93 o 6 -13 0 4368.28 4640.26 118.53 o 7 -13 0 11570.36 12080.88 195.28 o 8 -13 0 2213.86 2279.92 95.82 o 9 -13 0 3292.47 3282.97 117.71 o 10 -13 0 3809.15 3904.34 135.14 o 0 -12 0 41865.70 43916.55 271.09 o 1 -12 0 5852.38 5756.17 95.91 o 2 -12 0 15043.69 16150.63 164.45 o 3 -12 0 14850.53 15356.71 168.45 o 4 -12 0 1357.03 1492.54 63.41 o 5 -12 0 9198.95 9634.28 151.29 o 6 -12 0 7897.84 7910.72 145.58 o 7 -12 0 2541.86 2539.00 95.86 o 8 -12 0 1038.07 1245.78 76.33 o 9 -12 0 3666.22 3729.59 125.59 o 10 -12 0 263.90 305.83 56.87 o 1 -11 0 17605.44 17621.47 158.25 o 2 -11 0 13138.79 13541.99 143.60 o 3 -11 0 18849.63 20226.06 186.59 o 4 -11 0 259.34 204.36 35.42 o 5 -11 0 16850.58 18080.62 201.00 o 6 -11 0 2347.18 2511.50 84.26 o 7 -11 0 22576.49 23840.55 262.66 o 8 -11 0 14000.06 14982.02 219.64 o 9 -11 0 1445.14 1419.88 83.84 o 10 -11 0 2854.43 2688.49 114.27 o 11 -11 0 887.72 911.67 81.42 o 0 -10 0 5866.22 5953.49 87.79 o 1 -10 0 19322.53 20054.61 160.22 o 2 -10 0 12093.59 12808.62 133.24 o 3 -10 0 10805.14 11645.18 136.04 o 4 -10 0 5540.85 5856.27 105.44 o 5 -10 0 179.97 242.15 37.46 o 6 -10 0 1410.89 1326.13 65.11 o 7 -10 0 16448.04 17013.93 218.54 o 8 -10 0 31819.60 32767.17 323.95 o 9 -10 0 3204.06 3493.06 115.67 o 10 -10 0 3556.55 3813.78 127.63 o 11 -10 0 981.57 912.75 81.77 o 1 -9 0 8538.65 8570.83 99.17 o 2 -9 0 8061.65 8724.74 105.24 o 3 -9 0 4007.05 4286.83 81.07 o 4 -9 0 24351.38 24808.89 207.65 o 5 -9 0 10930.57 11752.21 153.07 o 6 -9 0 4160.75 4356.55 103.88 o 7 -9 0 6226.15 6424.63 133.78 o 8 -9 0 2336.19 2395.07 94.48 o 9 -9 0 1006.85 1181.35 74.28 o 10 -9 0 2299.22 2217.84 100.93 o 11 -9 0 7069.30 7025.77 173.69 o 0 -8 0 34233.65 34168.86 187.09 o 1 -8 0 18058.53 19720.03 141.53 o 2 -8 0 5331.34 5643.18 81.97 o 3 -8 0 18497.06 20211.54 165.39 o 4 -8 0 22094.17 22135.50 189.69 o 5 -8 0 57260.81 62122.27 353.42 o 6 -8 0 11481.30 12839.53 169.91 o 7 -8 0 3306.01 3482.07 99.69 o 8 -8 0 1396.09 1450.03 71.92 o 9 -8 0 2787.58 3079.92 104.73 o 10 -8 0 714.42 716.76 68.47 o 11 -8 0 662.80 608.74 66.77 o 1 -7 0 14190.76 15786.52 119.18 o 2 -7 0 48.58 182.53 25.54 o 3 -7 0 7954.12 8999.03 106.68 o 4 -7 0 36087.32 36341.59 239.72 o 5 -7 0 38171.66 40956.77 277.97 o 6 -7 0 16660.46 17798.00 197.38 o 7 -7 0 9679.76 10158.72 162.00 o 8 -7 0 1772.61 1845.99 78.08 o 9 -7 0 5156.90 5006.79 129.17 o 10 -7 0 7905.65 7764.87 170.42 o 11 -7 0 1714.96 1842.01 94.42 o 0 -6 0 6299.56 5858.09 65.17 o 1 -6 0 624.08 911.28 32.39 o 2 -6 0 24701.29 26491.86 160.57 o 3 -6 0 40216.52 41763.30 227.07 o 4 -6 0 9912.07 10194.26 122.71 o 5 -6 0 21395.12 23188.49 204.44 o 6 -6 0 74345.42 78830.16 425.88 o 7 -6 0 536.86 611.50 53.14 o 8 -6 0 20402.87 21043.36 243.76 o 9 -6 0 871.64 807.85 65.42 o 10 -6 0 4009.38 4074.83 125.29 o 11 -6 0 3894.36 3820.59 126.97 o 12 -6 0 758.33 862.21 78.01 o 1 -5 0 5648.70 5330.01 61.72 o 2 -5 0 41164.98 42385.50 200.36 o 3 -5 0 11564.26 11724.79 114.41 o 4 -5 0 17773.33 18197.40 160.62 o 5 -5 0 94778.80 100963.66 450.44 o 6 -5 0 3302.04 3331.40 89.84 o 7 -5 0 15901.46 16253.13 199.50 o 8 -5 0 81.33 143.71 42.91 o 9 -5 0 520.39 572.96 56.21 o 10 -5 0 696.23 805.34 68.13 o 11 -5 0 1709.30 1836.59 93.74 o 12 -5 0 4828.81 4997.39 152.97 o 0 -4 0 18153.82 20427.33 101.84 o 1 -4 0 17455.01 19209.08 106.51 o 2 -4 0 3229.84 4425.99 61.03 o 3 -4 0 13138.28 13372.34 119.40 o 4 -4 0 5105.58 5122.02 86.42 o 5 -4 0 16724.37 17597.41 175.63 o 6 -4 0 38351.28 39088.27 286.59 o 7 -4 0 12396.26 12756.57 175.20 o 8 -4 0 11341.22 11560.84 179.67 o 9 -4 0 3785.13 3678.26 112.67 o 10 -4 0 2084.37 2299.57 96.16 o 11 -4 0 8972.68 8970.69 190.36 o 12 -4 0 1582.70 1597.77 93.73 o 1 -3 0 12144.45 9877.45 69.41 o 2 -3 0 9331.49 10410.12 87.41 o 3 -3 0 7773.20 7555.35 90.14 o 4 -3 0 15733.41 15444.56 146.97 o 5 -3 0 24051.52 24182.97 203.49 o 6 -3 0 13202.41 14052.08 169.10 o 7 -3 0 2929.64 3131.73 90.47 o 8 -3 0 10455.41 10586.91 173.39 o 9 -3 0 3189.63 3231.74 105.12 o 10 -3 0 2507.37 2772.63 102.66 o 11 -3 0 246.34 271.43 54.49 o 12 -3 0 3583.17 3497.43 130.68 o 0 -2 0 44423.05 45978.58 205.26 o 1 -2 0 77137.08 85237.88 384.44 o 2 -2 0 13410.76 13162.51 97.75 o 3 -2 0 16977.42 15877.78 128.02 o 4 -2 0 6321.02 6131.38 92.82 o 5 -2 0 4312.39 4031.55 85.58 o 6 -2 0 5127.38 5362.65 105.78 o 7 -2 0 97.33 151.20 39.16 o 8 -2 0 11628.97 11269.43 178.03 o 9 -2 0 1464.84 1374.76 77.38 o 10 -2 0 3302.04 3472.33 114.32 o 11 -2 0 418.94 514.65 62.33 o 12 -2 0 2705.67 2543.51 114.93 o 1 -1 0 139548.38 151451.03 1038.50 o 2 -1 0 33242.32 33255.48 161.13 o 3 -1 0 45024.38 45081.63 224.57 o 4 -1 0 10459.19 11547.78 125.60 o 5 -1 0 3667.97 3941.42 83.47 o 6 -1 0 2769.96 2760.42 77.86 o 7 -1 0 8193.34 8376.36 142.71 o 8 -1 0 257.28 275.87 46.32 o 9 -1 0 7893.05 7409.29 156.51 o 10 -1 0 7035.09 7252.31 164.55 o 11 -1 0 11611.41 11792.69 218.11 o 12 -1 0 2509.69 2661.56 118.67 o 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199.21 o 3 5 0 11284.42 11516.03 113.66 o 4 5 0 17226.36 17566.84 158.07 o 5 5 0 95264.04 98373.85 447.64 o 6 5 0 3461.83 3281.69 88.49 o 7 5 0 15850.61 16199.63 198.80 o 8 5 0 139.90 218.98 42.23 o 9 5 0 542.32 639.73 58.59 o 10 5 0 602.96 516.08 58.25 o 11 5 0 1864.26 1755.63 94.43 o 12 5 0 4427.16 3996.73 137.91 o 0 6 0 7304.86 6663.17 70.13 o 1 6 0 1011.86 1257.91 36.85 o 2 6 0 23123.63 24092.07 152.40 o 3 6 0 40914.01 41418.66 228.00 o 4 6 0 10066.26 9965.53 120.66 o 5 6 0 21447.51 22784.67 202.01 o 6 6 0 73329.24 76531.03 416.07 o 7 6 0 544.57 543.03 53.49 o 8 6 0 19001.01 18643.82 229.69 o 9 6 0 850.02 890.97 69.17 o 10 6 0 4009.09 3607.47 120.17 o 11 6 0 3914.44 3760.57 131.40 o 12 6 0 763.34 717.77 72.90 o 1 7 0 15166.89 16207.81 120.76 o 2 7 0 29.04 144.04 24.18 o 3 7 0 8873.02 9793.31 111.97 o 4 7 0 33809.55 33515.55 227.81 o 5 7 0 38868.55 40574.22 276.03 o 6 7 0 17524.20 18393.15 201.33 o 7 7 0 9123.74 8914.00 151.63 o 8 7 0 1697.29 1808.04 78.76 o 9 7 0 5078.66 5043.77 130.53 o 10 7 0 7881.50 7742.85 168.71 o 11 7 0 1632.92 1402.57 91.01 o 0 8 0 33012.73 31120.26 179.28 o 1 8 0 16786.52 17843.79 134.30 o 2 8 0 5686.38 6084.77 84.07 o 3 8 0 18947.16 19788.88 165.48 o 4 8 0 22960.76 22797.82 192.31 o 5 8 0 56882.07 60072.52 345.76 o 6 8 0 12301.76 13148.77 173.47 o 7 8 0 3640.00 3795.47 103.48 o 8 8 0 1566.59 1498.27 75.34 o 9 8 0 2823.26 2918.97 104.05 o 10 8 0 958.56 1024.88 76.32 o 11 8 0 640.73 642.11 66.77 o 1 9 0 8075.01 8163.41 96.70 o 2 9 0 9038.17 9204.78 107.77 o 3 9 0 3682.02 3717.62 75.91 o 4 9 0 24074.79 24292.73 203.41 o 5 9 0 12061.55 12037.47 155.99 o 6 9 0 3984.42 3959.91 99.08 o 7 9 0 6373.60 6211.14 132.77 o 8 9 0 2207.10 2256.73 88.67 o 9 9 0 986.63 1043.00 69.17 o 10 9 0 2422.81 2156.62 100.26 o 11 9 0 6975.32 6174.78 167.87 o 0 10 0 5411.06 5210.56 81.23 o 1 10 0 18249.30 18719.13 154.11 o 2 10 0 11844.28 12208.08 130.10 o 3 10 0 10451.25 10655.94 130.48 o 4 10 0 5716.43 6104.48 106.49 o 5 10 0 154.93 219.66 37.12 o 6 10 0 1511.46 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3463.55 3781.31 94.25 o 5 13 0 7599.36 7389.53 136.67 o 6 13 0 4108.35 4365.14 113.05 o 7 13 0 11390.69 11804.55 193.20 o 8 13 0 2346.09 2352.07 98.90 o 9 13 0 3524.82 3437.67 119.78 o 10 13 0 3590.26 3637.71 129.32 o 0 14 0 15876.65 14804.19 165.04 o 1 14 0 15972.31 16091.83 172.98 o 2 14 0 20705.55 21681.87 205.83 o 3 14 0 3839.20 3996.29 94.96 o 4 14 0 1095.12 1298.14 62.71 o 5 14 0 7282.60 7254.51 139.34 o 6 14 0 6557.23 6749.91 142.99 o 7 14 0 1549.21 1658.65 82.49 o 8 14 0 513.20 578.38 59.61 o 9 14 0 3868.07 4166.53 137.20 o 10 14 0 10308.00 10241.07 215.42 o 1 15 0 3463.65 3431.97 86.74 o 2 15 0 9608.78 9916.07 145.50 o 3 15 0 8650.24 8874.70 143.98 o 4 15 0 16510.52 16745.30 205.10 o 5 15 0 908.92 1000.06 62.01 o 6 15 0 5225.31 5444.94 131.22 o 7 15 0 1354.61 1559.89 79.07 o 8 15 0 2814.65 2935.84 112.56 o 9 15 0 3448.40 3328.36 127.61 o 0 16 0 17367.10 16998.72 192.93 o 1 16 0 3518.59 3504.98 91.85 o 2 16 0 18318.60 19183.73 210.61 o 3 16 0 20647.82 21608.64 232.66 o 4 16 0 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