#------------------------------------------------------------------------------ #$Date: 2019-02-09 05:47:22 +0200 (Sat, 09 Feb 2019) $ #$Revision: 213580 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/28/2242846.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_2242846 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 8.4810 _cell_length_b 8.4810 _cell_length_c 27.0500 _exptl_crystal_F_000 1962.00 _reflns_d_resolution_high 0.6606 _cod_data_source_file vn2142Isup2.hkl _cod_data_source_block I _shelx_title ' csgahas in R32 = CsGa(HAsO4)2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 874.63 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' 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 1 0 293927.50 292183.00 2471.14 o -1 2 0 293432.81 290515.09 2470.72 o 2 2 0 380194.50 369173.69 3119.46 o 0 3 0 280685.69 269705.44 1810.87 o 3 3 0 156094.88 156636.09 1637.78 o -2 4 0 380142.56 368631.25 3488.09 o 1 4 0 244064.12 242105.02 1627.05 o 4 4 0 39681.96 39938.25 843.58 o -1 5 0 244319.94 241132.94 1621.66 o 2 5 0 250790.25 249878.42 2177.53 o 5 5 0 36360.77 36945.49 948.00 o -3 6 0 155538.44 155012.83 1691.34 o 0 6 0 32833.33 32068.01 333.89 o 3 6 0 64528.23 63901.36 981.53 o 6 6 0 58508.68 63157.16 1872.30 o -2 7 0 250741.22 247788.16 2254.01 o 1 7 0 64644.61 66201.47 832.33 o 4 7 0 30805.60 30632.27 1289.35 o -4 8 0 39785.99 39806.91 869.95 o -1 8 0 64725.69 64666.23 964.46 o 2 8 0 32443.88 33046.46 658.92 o -3 9 0 64449.30 66433.88 942.01 o 0 9 0 39205.55 39735.35 758.52 o 3 9 0 32997.85 36557.93 1881.35 o -5 10 0 36361.68 36919.16 1316.66 o -2 10 0 32476.34 34930.24 733.34 o 1 10 0 25178.54 25344.74 725.88 o -4 11 0 30663.35 31104.97 790.59 o -1 11 0 25189.35 26143.13 833.71 o -6 12 0 58538.37 60388.42 1872.30 o -3 12 0 33055.21 33940.85 1120.02 o -3 2 1 56121.76 55001.20 506.53 o 0 2 1 173018.25 169646.59 1123.74 o -5 3 1 10738.65 10344.02 138.51 o -2 3 1 56741.80 55349.82 405.04 o 1 3 1 17542.46 17333.75 210.71 o -7 4 1 6386.07 6854.90 167.14 o -4 4 1 751.96 879.43 55.68 o -1 4 1 17152.65 17007.71 157.48 o 2 4 1 12728.12 13256.98 289.20 o -9 5 1 20649.06 21815.00 436.70 o -6 5 1 15499.64 15348.32 194.61 o -3 5 1 10825.51 10538.63 302.36 o 0 5 1 50507.48 49274.77 555.38 o 3 5 1 700.76 840.58 138.25 o -11 6 1 4844.66 4604.60 313.95 o -8 6 1 9011.29 9495.13 231.62 o -5 6 1 15373.22 15523.64 341.88 o -2 6 1 12749.53 12820.78 315.49 o 1 6 1 1355.77 1353.47 144.35 o 4 6 1 3393.15 3625.20 231.47 o -10 7 1 15336.86 16799.59 854.09 o 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181.16 380.51 o -3 12 3 6245.22 5841.16 403.40 o -1 1 4 263.24 451.67 23.47 o -3 2 4 47935.40 48551.72 357.03 o 0 2 4 12098.84 12607.62 130.41 o -5 3 4 39861.36 39687.60 326.54 o -2 3 4 47757.09 48568.05 370.20 o 1 3 4 42334.11 43336.48 383.77 o -7 4 4 26801.83 28443.74 789.95 o -4 4 4 20612.62 20515.64 194.92 o -1 4 4 42275.27 43135.04 361.71 o 2 4 4 29974.05 29619.74 307.07 o -9 5 4 14565.69 14708.68 334.51 o -6 5 4 18767.82 18532.23 231.99 o -3 5 4 39830.49 39245.20 353.49 o 0 5 4 156.70 492.21 209.94 o 3 5 4 5055.06 4867.37 182.90 o -11 6 4 11838.43 11505.94 403.61 o -8 6 4 17657.55 17070.71 321.79 o -5 6 4 18935.51 18658.63 249.95 o -2 6 4 29965.42 29944.43 284.82 o 1 6 4 10748.33 10414.12 220.64 o 4 6 4 2062.70 1939.96 204.15 o -10 7 4 12884.64 12762.60 391.39 o -7 7 4 97.14 131.21 92.78 o -4 7 4 26856.91 27805.93 325.44 o -1 7 4 10696.98 10278.18 420.41 o 2 7 4 10932.08 10970.20 328.38 o 5 7 4 5373.04 5641.48 398.81 o -12 8 4 4277.53 4052.17 334.12 o -9 8 4 2554.42 2147.75 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