#------------------------------------------------------------------------------ #$Date: 2017-07-25 12:51:56 +0300 (Tue, 25 Jul 2017) $ #$Revision: 199202 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/22/2242241.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_2242241 _cell_angle_alpha 96.570 _cell_angle_beta 104.450 _cell_angle_gamma 103.080 _cell_length_a 6.2430 _cell_length_b 6.3490 _cell_length_c 8.1530 _exptl_crystal_F_000 313.50 _reflns_d_resolution_high 0.7119 _cod_data_source_file pj2041Isup2.hkl _cod_data_source_block I _shelx_title ' KCr(0.25)Al(0.75)As2O7' _shelx_refln_list_code 4 _shelx_f_calc_maximum 140.33 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -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 1 0 0 1830.43 2056.91 14.11 o 2 0 0 1251.89 1188.56 15.54 o 3 0 0 3321.89 3466.72 32.36 o 4 0 0 518.31 516.67 15.95 o 5 0 0 174.66 201.46 12.48 o 6 0 0 3337.09 3420.44 87.67 o 7 0 0 412.70 349.35 28.12 o -7 1 0 2228.20 2200.30 78.99 o -6 1 0 3333.56 3218.47 83.53 o -5 1 0 1.34 2.97 7.48 o -4 1 0 218.90 206.90 10.59 o -3 1 0 4050.62 4067.64 33.76 o -2 1 0 4694.88 4421.43 28.40 o -1 1 0 94.34 140.40 5.16 o 0 1 0 3554.84 3355.23 17.50 o 1 1 0 8.52 3.09 4.70 o 2 1 0 8681.17 9050.50 47.88 o 3 1 0 2354.62 2350.79 29.30 o 4 1 0 2053.23 2039.24 31.79 o 5 1 0 619.48 645.99 21.50 o 6 1 0 111.81 118.61 11.04 o -7 2 0 385.69 390.33 27.07 o -6 2 0 339.29 401.48 29.38 o -5 2 0 6425.62 6410.20 58.66 o -4 2 0 542.39 599.67 16.28 o -3 2 0 297.60 274.47 10.05 o -2 2 0 3366.75 3225.55 27.10 o -1 2 0 14326.87 13126.09 53.79 o 0 2 0 287.73 371.30 9.44 o 1 2 0 11146.20 10485.01 55.80 o 2 2 0 1677.54 1909.15 26.61 o 3 2 0 13.73 16.57 6.52 o 4 2 0 518.22 525.78 18.94 o 5 2 0 1833.50 1875.09 38.00 o 6 2 0 7.81 5.16 20.31 o -7 3 0 220.84 212.53 21.64 o -6 3 0 0.18 -3.19 10.04 o -5 3 0 1395.84 1423.72 28.97 o -4 3 0 79.00 78.17 5.72 o -3 3 0 3656.48 3794.06 37.22 o -2 3 0 2802.80 2781.79 30.14 o -1 3 0 70.04 63.47 6.66 o 0 3 0 1872.55 2003.88 23.39 o 1 3 0 739.89 768.87 20.01 o 2 3 0 0.43 -6.99 6.99 o 3 3 0 4002.46 3965.15 49.19 o 4 3 0 6.30 -4.73 8.73 o 5 3 0 1259.52 1168.64 33.60 o -7 4 0 192.90 219.42 20.55 o -6 4 0 1001.73 1029.23 28.46 o -5 4 0 209.68 229.67 13.90 o -4 4 0 3039.48 3031.15 40.32 o -3 4 0 4155.39 4172.47 44.29 o -2 4 0 2110.19 2099.04 32.37 o -1 4 0 5234.43 5199.80 58.54 o 0 4 0 7638.97 7595.08 110.71 o 1 4 0 287.49 262.37 16.08 o 2 4 0 4680.54 4450.25 56.74 o 3 4 0 1067.72 1031.25 29.79 o 4 4 0 0.72 21.94 10.81 o 5 4 0 353.39 333.18 21.81 o -6 5 0 95.35 107.54 10.65 o -5 5 0 105.19 120.37 10.89 o -4 5 0 87.90 76.02 6.13 o -3 5 0 334.48 331.18 16.32 o -2 5 0 1909.60 1867.69 37.28 o -1 5 0 1998.56 2179.27 42.51 o 0 5 0 151.39 163.54 9.85 o 1 5 0 1371.96 1302.81 35.64 o 2 5 0 33.74 41.42 5.89 o 3 5 0 32.33 46.30 7.05 o 4 5 0 4137.00 4000.27 68.75 o -6 6 0 376.70 368.00 23.14 o -5 6 0 3247.74 3156.87 52.45 o -4 6 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