#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2215287.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_2215287_Fobs loop_ _publ_author_name 'Hullmann, Jonathan' 'Xia, Shengqing' 'Bobev, Svilen' _publ_section_title ; Sr~11~InSb~9~ grown from molten In ; _journal_coeditor_code WM2135 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i178 _journal_volume 63 _journal_year 2007 _space_group_IT_number 45 _symmetry_space_group_name_Hall 'I 2 -2c' _symmetry_space_group_name_H-M 'I b a 2' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 12.3885 _cell_length_b 13.1003 _cell_length_c 17.4966 _exptl_crystal_F_000 3704.00 _reflns_d_resolution_high 0.7801 _[local]_cod_data_source_file wm2135Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' test in Iba2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1747.98 _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, z' 'x+1/2, -y+1/2, z' '-x+1/2, y+1/2, z' 'x+1/2, y+1/2, z+1/2' '-x+1/2, -y+1/2, z+1/2' 'x+1, -y+1, z+1/2' '-x+1, y+1, 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 0 -22 189109.13 215479.86 14415.69 o 2 0 -22 74437.88 73290.68 5418.82 o 1 1 -22 10357.60 9021.02 1124.08 o 0 2 -22 21062.85 17378.16 3606.13 o 2 2 -22 12801.26 11240.37 1903.98 o 1 3 -22 30528.15 33368.84 5724.91 o 2 1 -21 37352.70 34924.75 3058.92 o 4 1 -21 31674.58 31558.19 2277.45 o 1 2 -21 39238.96 37632.99 3326.16 o 3 2 -21 513.59 682.82 887.89 o 5 2 -21 5578.86 7145.66 4078.03 o 2 3 -21 35109.99 32730.52 3472.39 o 4 3 -21 15605.91 17938.43 2514.37 o 1 4 -21 22708.85 22223.49 2513.01 o 3 4 -21 5101.79 3760.94 2734.45 o 0 0 -20 135266.66 115498.59 10374.19 o 2 0 -20 137399.44 143787.42 8190.05 o 4 0 -20 36667.30 36768.02 3714.44 o 6 0 -20 2387.52 1966.71 1091.15 o 1 1 -20 2288.01 2776.50 942.15 o 3 1 -20 165074.44 175162.70 5702.46 o 5 1 -20 28406.64 28453.04 2491.89 o 7 1 -20 4022.44 871.24 1501.03 o 0 2 -20 13143.13 12828.43 2611.58 o 2 2 -20 34351.22 35477.36 3225.42 o 4 2 -20 36919.54 39093.45 2734.31 o 6 2 -20 5658.94 7672.15 1014.57 o 1 3 -20 19038.15 19308.62 2307.54 o 3 3 -20 2675.11 2492.75 1823.72 o 5 3 -20 4647.29 6112.23 1230.47 o 0 4 -20 54846.34 47727.27 8394.76 o 2 4 -20 2395.18 5115.96 1994.36 o 4 4 -20 40852.46 44601.60 3593.61 o 6 4 -20 16178.42 20193.88 3631.12 o 1 5 -20 54021.14 57780.34 6258.05 o 3 5 -20 20072.89 21285.38 2163.83 o 5 5 -20 21995.25 25655.79 3274.50 o 0 6 -20 7262.12 8858.10 2431.80 o 2 6 -20 10780.87 10621.00 1455.06 o 4 6 -20 3379.28 2682.45 1916.44 o 1 7 -20 2358.41 4116.97 1877.43 o 2 1 -19 245303.42 247739.86 6806.45 o 4 1 -19 4247.89 3240.41 859.85 o 6 1 -19 3488.49 2739.51 1062.81 o 1 2 -19 4247.54 3763.26 1278.90 o 3 2 -19 1331.84 1677.51 880.57 o 5 2 -19 111075.04 108234.38 4522.27 o 7 2 -19 45631.39 44146.39 3170.06 o 2 3 -19 35941.44 34680.67 2861.61 o 4 3 -19 61539.50 56441.88 3787.86 o 6 3 -19 6623.62 6299.40 1181.21 o 1 4 -19 37830.96 40321.58 3506.86 o 3 4 -19 34845.63 37745.33 3368.30 o 5 4 -19 11360.64 9278.70 1413.47 o 7 4 -19 124974.48 129268.98 5458.73 o 2 5 -19 3156.37 4272.39 901.55 o 4 5 -19 895.69 1702.25 1193.60 o 6 5 -19 35555.48 41258.85 3409.48 o 1 6 -19 122664.16 120292.17 6210.34 o 3 6 -19 35526.20 37060.96 4030.50 o 5 6 -19 59681.28 55370.08 4119.57 o 2 7 -19 29537.99 33263.94 3573.49 o 4 7 -19 90141.09 102482.84 5762.08 o 1 8 -19 10725.72 9432.79 1951.51 o 3 8 -19 55068.28 63648.60 6443.24 o 0 0 -18 95549.57 92810.55 9015.47 o 2 0 -18 94009.86 92381.84 5110.50 o 4 0 -18 3930.75 6098.14 2397.23 o 6 0 -18 40769.12 38360.00 4117.82 o 8 0 -18 14463.99 12418.19 4306.63 o 1 1 -18 34564.26 35793.49 2902.94 o 3 1 -18 20301.42 20186.73 2011.78 o 5 1 -18 35780.61 33370.02 2634.73 o 7 1 -18 27867.97 29586.68 2714.67 o 9 1 -18 40644.59 37094.58 3597.62 o 0 2 -18 27258.33 26417.17 4075.05 o 2 2 -18 15429.33 13088.39 1521.24 o 4 2 -18 13230.35 12344.76 1569.89 o 6 2 -18 2071.96 1084.24 1026.11 o 8 2 -18 18650.49 18885.87 1938.98 o 1 3 -18 66184.62 68339.90 3537.79 o 3 3 -18 64895.65 68561.38 3780.71 o 5 3 -18 48567.61 50980.66 3689.31 o 7 3 -18 26932.42 24372.83 2610.62 o 9 3 -18 35955.40 39267.41 6168.01 o 0 4 -18 26374.02 25688.61 3842.05 o 2 4 -18 12814.46 10244.71 1727.58 o 4 4 -18 6668.78 7100.82 1394.91 o 6 4 -18 21165.61 19901.11 2390.87 o 8 4 -18 21395.43 21525.46 2235.94 o 1 5 -18 42892.25 43855.61 3598.49 o 3 5 -18 95143.05 91068.84 4760.69 o 5 5 -18 128565.02 127262.46 5636.06 o 7 5 -18 47792.50 49550.05 5092.63 o 0 6 -18 46597.97 40644.27 4830.93 o 2 6 -18 30528.86 30094.65 3546.17 o 4 6 -18 16906.89 17130.30 2225.30 o 6 6 -18 25296.28 21770.91 2276.65 o 1 7 -18 41504.31 42169.68 4342.52 o 3 7 -18 89212.55 91066.22 5845.80 o 5 7 -18 6833.99 7600.19 1253.22 o 0 8 -18 40468.69 43563.51 5060.19 o 2 8 -18 19649.47 19431.31 2566.09 o 4 8 -18 6690.28 3262.61 3264.67 o 1 9 -18 19039.75 18353.72 1728.67 o 3 9 -18 34958.73 36083.73 3442.04 o 0 10 -18 106422.85 109616.08 7503.36 o 2 1 -17 40486.39 39103.89 2759.86 o 4 1 -17 44531.98 42250.84 2974.17 o 6 1 -17 54235.06 55212.20 3462.51 o 8 1 -17 391.47 819.33 741.53 o 10 1 -17 134744.56 151781.03 12307.93 o 1 2 -17 15521.64 14568.86 1860.80 o 3 2 -17 22877.35 23461.35 2178.06 o 5 2 -17 11696.62 12267.72 1725.21 o 7 2 -17 120606.79 122412.46 4911.94 o 9 2 -17 66327.17 67457.39 3828.62 o 2 3 -17 69163.77 66015.68 3168.81 o 4 3 -17 48325.79 48491.52 3509.31 o 6 3 -17 3659.39 2672.78 840.23 o 8 3 -17 14557.59 18564.69 2173.05 o 1 4 -17 66763.70 64131.73 3456.09 o 3 4 -17 9212.96 10702.39 1806.26 o 5 4 -17 118969.32 112646.91 5224.71 o 7 4 -17 24140.90 24526.77 2714.43 o 9 4 -17 4102.09 2655.21 1108.65 o 2 5 -17 7487.38 5127.76 1210.99 o 4 5 -17 24541.84 21879.48 2647.82 o 6 5 -17 13099.44 14465.25 2011.23 o 8 5 -17 31543.70 30778.35 2862.15 o 1 6 -17 36266.21 42304.02 3545.18 o 3 6 -17 9591.47 13643.92 1910.52 o 5 6 -17 84477.59 85290.94 5428.35 o 7 6 -17 19069.47 21467.20 2285.74 o 2 7 -17 160878.50 156653.33 7295.62 o 4 7 -17 40637.81 38158.08 3330.70 o 6 7 -17 7609.73 9888.57 1999.86 o 1 8 -17 23502.54 23795.76 2530.60 o 3 8 -17 3265.08 1970.25 1946.47 o 5 8 -17 52758.82 59486.63 5126.39 o 7 8 -17 16787.72 19837.56 2602.95 o 2 9 -17 36459.27 37931.48 3769.60 o 4 9 -17 14176.60 16035.86 1835.54 o 1 10 -17 89192.38 98179.68 4901.04 o 3 10 -17 11540.71 13017.19 2055.78 o 0 0 -16 867669.75 864952.63 20181.39 o 2 0 -16 61365.28 54619.23 4462.49 o 4 0 -16 20637.12 22307.45 3063.88 o 6 0 -16 830054.06 847168.25 17977.80 o 8 0 -16 36240.84 35307.70 3651.95 o 10 0 -16 39253.63 44594.17 5234.16 o 1 1 -16 7638.44 7383.12 1225.01 o 3 1 -16 121937.60 116386.00 4048.36 o 5 1 -16 136405.38 135568.44 4523.88 o 7 1 -16 28248.12 27895.11 2674.25 o 9 1 -16 2138.72 2677.12 1003.92 o 0 2 -16 139611.33 134755.84 5915.78 o 2 2 -16 65928.73 63791.54 3125.84 o 4 2 -16 8910.00 8276.13 1351.92 o 6 2 -16 31717.53 36581.75 3103.61 o 8 2 -16 7054.51 6182.17 1118.55 o 10 2 -16 55368.79 49766.86 3511.15 o 1 3 -16 223799.16 226739.91 5029.73 o 3 3 -16 315757.09 319192.72 6776.69 o 5 3 -16 20596.77 19350.16 2190.36 o 7 3 -16 62762.45 59496.59 3982.50 o 9 3 -16 32353.67 32389.86 3601.28 o 0 4 -16 415863.69 418363.97 10968.97 o 2 4 -16 10671.72 10900.74 1530.52 o 4 4 -16 177493.81 169783.88 6348.55 o 6 4 -16 4053.62 5873.76 1214.43 o 8 4 -16 682.32 1379.44 1664.19 o 10 4 -16 68828.40 73550.55 4631.20 o 1 5 -16 52987.29 58381.17 3435.97 o 3 5 -16 7988.67 6968.06 1608.05 o 5 5 -16 10334.58 11059.37 1930.53 o 7 5 -16 82984.27 83943.73 4870.53 o 9 5 -16 101088.63 103343.21 5007.46 o 0 6 -16 81467.05 81139.13 6687.97 o 2 6 -16 8568.73 9121.36 2188.04 o 4 6 -16 37816.96 41696.69 3699.28 o 6 6 -16 16171.25 15423.72 2167.09 o 8 6 -16 1789.91 2709.55 895.16 o 1 7 -16 639.86 124.06 1213.79 o 3 7 -16 172519.78 182075.22 7890.94 o 5 7 -16 29947.57 34469.48 3378.57 o 7 7 -16 58285.95 59957.13 4453.26 o 0 8 -16 26381.41 23271.13 3658.18 o 2 8 -16 93681.87 93818.95 4606.45 o 4 8 -16 1507.29 655.47 2068.23 o 6 8 -16 10977.78 10370.42 1512.58 o 8 8 -16 228619.31 238814.78 10973.44 o 1 9 -16 6650.48 6679.17 1722.43 o 3 9 -16 53192.35 52990.12 5023.46 o 5 9 -16 101136.79 102901.55 5753.11 o 7 9 -16 54875.93 64839.08 6686.74 o 0 10 -16 2145.95 4982.68 1681.05 o 2 10 -16 92867.31 99637.70 4937.55 o 4 10 -16 33618.69 34617.64 3861.68 o 1 11 -16 63821.13 71043.13 4156.41 o 3 11 -16 86291.72 85977.04 7186.30 o 2 1 -15 53196.89 53334.39 2973.40 o 4 1 -15 26745.82 22890.99 2105.32 o 6 1 -15 21935.01 22563.66 2192.84 o 8 1 -15 6108.75 6417.35 1236.82 o 10 1 -15 163285.53 165628.14 5836.09 o 1 2 -15 12587.73 10113.73 1301.55 o 3 2 -15 2122.24 2465.39 915.45 o 5 2 -15 21730.81 20962.73 2023.87 o 7 2 -15 53936.77 52616.20 3753.19 o 9 2 -15 72920.90 74285.41 4004.58 o 11 2 -15 17797.19 18073.24 1722.71 o 2 3 -15 36307.78 32921.63 2431.29 o 4 3 -15 208541.20 209093.92 5388.60 o 6 3 -15 10354.19 9301.02 1927.64 o 8 3 -15 15805.86 15397.46 1926.84 o 10 3 -15 52821.67 54763.09 4280.43 o 1 4 -15 108903.21 107835.73 3653.73 o 3 4 -15 45764.42 42742.39 3593.75 o 5 4 -15 162669.34 163580.78 6247.92 o 7 4 -15 61849.82 65716.57 4681.42 o 9 4 -15 28122.93 28516.21 3005.58 o 11 4 -15 1994.64 -86.86 1494.42 o 2 5 -15 41040.64 38999.71 3006.38 o 4 5 -15 420.50 -57.50 843.79 o 6 5 -15 22987.88 20908.52 2654.16 o 8 5 -15 32100.51 33318.32 2964.89 o 10 5 -15 11076.14 11249.58 1222.30 o 1 6 -15 42371.83 41470.87 3016.07 o 3 6 -15 3743.72 4509.27 1242.90 o 5 6 -15 61582.54 59508.05 4438.48 o 7 6 -15 76865.97 73065.47 4717.58 o 9 6 -15 42350.95 40784.24 3204.83 o 2 7 -15 139668.16 135670.91 5527.50 o 4 7 -15 50221.78 50357.55 3929.91 o 6 7 -15 14815.79 15087.50 2065.36 o 8 7 -15 96343.99 95909.94 4894.00 o 1 8 -15 20524.99 20105.65 2418.10 o 3 8 -15 24859.65 23090.78 2827.96 o 5 8 -15 33996.96 33215.06 3078.35 o 7 8 -15 43726.01 40665.10 3520.26 o 9 8 -15 23726.23 25869.88 2801.89 o 2 9 -15 39832.27 38473.25 3389.53 o 4 9 -15 24468.54 18752.60 2685.25 o 6 9 -15 6561.94 9259.87 1857.57 o 8 9 -15 14940.90 15362.90 3145.01 o 1 10 -15 45207.40 48742.52 3985.19 o 3 10 -15 44150.49 48027.30 3850.01 o 5 10 -15 17268.78 16279.18 3748.40 o 2 11 -15 82133.94 84217.67 4443.20 o 4 11 -15 15780.90 15285.49 2073.93 o 1 12 -15 66321.13 67716.95 3823.28 o 3 12 -15 8310.35 9132.72 4096.19 o 0 0 -14 22205.87 17935.23 3111.84 o 2 0 -14 2092.80 2219.57 1382.75 o 4 0 -14 94384.48 98053.64 5224.25 o 6 0 -14 70495.64 67869.09 4856.56 o 8 0 -14 31420.86 30508.69 3668.70 o 10 0 -14 100339.48 106755.40 7453.32 o 12 0 -14 148701.31 161165.19 9113.43 o 1 1 -14 65590.63 64676.52 2444.30 o 3 1 -14 16503.16 16605.29 1876.23 o 5 1 -14 105286.58 103697.17 3814.31 o 7 1 -14 21460.26 19680.54 2006.22 o 9 1 -14 15212.16 14423.25 1866.09 o 11 1 -14 22545.18 21509.11 2739.44 o 0 2 -14 14163.73 13335.85 1895.64 o 2 2 -14 128112.35 126081.51 3578.65 o 4 2 -14 49803.36 52374.95 3074.24 o 6 2 -14 5634.56 5163.65 1029.40 o 8 2 -14 87630.12 93639.92 4422.35 o 10 2 -14 28942.50 28528.49 3088.25 o 12 2 -14 53888.51 52072.23 5282.51 o 1 3 -14 2806.50 2220.51 829.53 o 3 3 -14 3781.86 4410.92 1062.40 o 5 3 -14 17902.88 17960.37 2142.68 o 7 3 -14 29487.36 27952.10 2700.60 o 9 3 -14 28635.99 30134.83 3188.08 o 11 3 -14 22010.21 22670.14 2388.58 o 0 4 -14 222493.44 227292.44 7475.85 o 2 4 -14 177547.59 177069.86 4658.20 o 4 4 -14 123290.53 123394.88 5172.06 o 6 4 -14 73430.45 80529.21 4492.14 o 8 4 -14 147338.58 156377.00 6341.13 o 10 4 -14 19029.79 19152.31 2395.86 o 1 5 -14 16792.76 15938.11 1668.10 o 3 5 -14 41794.11 40934.30 3033.24 o 5 5 -14 13051.83 13268.60 2195.80 o 7 5 -14 3575.91 5102.22 1327.62 o 9 5 -14 34478.79 36505.59 3235.01 o 11 5 -14 26453.84 22804.23 2245.08 o 0 6 -14 377643.47 380691.69 19409.00 o 2 6 -14 77778.46 77740.38 3599.95 o 4 6 -14 55036.04 50343.72 3969.96 o 6 6 -14 103687.38 108087.00 4547.15 o 8 6 -14 16393.86 17073.50 2160.81 o 10 6 -14 39072.88 35650.36 2997.30 o 1 7 -14 12662.38 14750.58 2144.53 o 3 7 -14 11249.78 9823.59 1634.75 o 5 7 -14 510.27 -774.61 1142.63 o 7 7 -14 30250.56 32923.69 2964.35 o 9 7 -14 9144.60 8361.96 1278.76 o 0 8 -14 37940.32 40951.25 5166.96 o 2 8 -14 21254.74 20574.51 2502.96 o 4 8 -14 65233.43 63492.67 4077.04 o 6 8 -14 78848.18 81044.27 4574.35 o 8 8 -14 14871.90 12536.88 1461.57 o 1 9 -14 19585.69 19781.61 2450.27 o 3 9 -14 132814.66 148925.83 5885.03 o 5 9 -14 965.24 1560.22 1506.03 o 7 9 -14 6852.24 6883.87 1884.51 o 9 9 -14 7029.68 5957.91 1625.37 o 0 10 -14 3317.44 1955.87 3303.63 o 2 10 -14 414.57 1140.08 768.01 o 4 10 -14 47323.75 46581.89 3737.76 o 6 10 -14 30876.51 38346.20 4985.31 o 1 11 -14 8285.00 6936.71 1100.29 o 3 11 -14 87779.80 98042.66 4624.48 o 5 11 -14 17521.23 20076.50 3111.62 o 0 12 -14 85624.06 94093.46 10230.83 o 2 12 -14 25147.66 30678.65 3246.72 o 4 12 -14 23311.95 25260.28 2652.39 o 1 13 -14 5848.79 3675.18 1203.77 o 2 1 -13 383873.97 371884.84 6216.22 o 4 1 -13 33015.47 30543.52 2434.83 o 6 1 -13 13627.93 12570.36 1671.65 o 8 1 -13 1038.92 698.56 769.70 o 10 1 -13 14637.52 13424.15 1908.67 o 12 1 -13 23714.51 22437.55 2700.05 o 1 2 -13 31206.74 30576.04 1793.15 o 3 2 -13 11187.37 12254.25 1593.95 o 5 2 -13 235973.03 237944.25 5680.03 o 7 2 -13 65837.30 64286.68 3978.15 o 9 2 -13 40970.53 42154.17 3515.56 o 11 2 -13 3223.85 2615.21 1635.97 o 2 3 -13 50994.83 47274.89 2415.45 o 4 3 -13 44920.22 43596.98 2637.88 o 6 3 -13 16449.03 15696.72 2069.23 o 8 3 -13 176111.33 177318.91 5907.54 o 10 3 -13 122916.55 120349.34 5544.10 o 12 3 -13 1116.77 -1509.78 1509.78 o 1 4 -13 20368.82 19720.01 1882.04 o 3 4 -13 34003.77 35718.29 2276.62 o 5 4 -13 4098.03 4366.56 1443.45 o 7 4 -13 117130.97 116007.33 5935.97 o 9 4 -13 4560.17 3088.50 1226.05 o 11 4 -13 16200.21 19015.93 2330.33 o 2 5 -13 3028.88 2710.29 1055.40 o 4 5 -13 22656.88 20581.72 2437.31 o 6 5 -13 41675.06 40107.20 3249.18 o 8 5 -13 44678.94 43393.79 3555.35 o 10 5 -13 72638.38 76520.67 4683.97 o 12 5 -13 12174.32 11291.88 1528.10 o 1 6 -13 170920.98 176878.06 5185.59 o 3 6 -13 86204.27 84083.80 3652.90 o 5 6 -13 107990.98 106384.80 4390.21 o 7 6 -13 45879.14 45813.11 3641.79 o 9 6 -13 8328.77 9296.00 1640.42 o 11 6 -13 25666.70 27015.45 2256.75 o 2 7 -13 113488.49 115042.34 4208.52 o 4 7 -13 99548.55 93553.49 3900.73 o 6 7 -13 16407.44 15284.12 2099.62 o 8 7 -13 27092.89 32015.86 3006.00 o 10 7 -13 78015.66 79628.38 4936.65 o 1 8 -13 20283.14 19932.44 2442.23 o 3 8 -13 80554.00 81995.60 4305.09 o 5 8 -13 58856.62 60480.04 3557.15 o 7 8 -13 8631.44 8623.49 1412.51 o 9 8 -13 4257.47 3086.61 1248.73 o 2 9 -13 48916.69 49389.31 3909.07 o 4 9 -13 19445.06 18299.12 2142.66 o 6 9 -13 54187.44 54355.41 3722.39 o 8 9 -13 10148.96 10849.60 1560.66 o 1 10 -13 20083.83 21809.61 2354.92 o 3 10 -13 7819.63 7230.42 1277.24 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