#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2206577.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_2206577_Fobs loop_ _publ_author_name 'M\"oller, Angela' 'Kerp, Oliver' _publ_section_title ; Dirubidium sodium manganate(V), Rb~2~NaMnO~4~ ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i146 _journal_page_last i147 _journal_volume 61 _journal_year 2005 _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 92.219 _cell_angle_gamma 90.000 _cell_length_a 5.9078 _cell_length_b 5.9821 _cell_length_c 7.9503 _exptl_crystal_F_000 284.00 _reflns_d_resolution_high 0.7830 _[local]_cod_data_source_file wm6078Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SL001-I STOE IPDS MEASUREMENT' _shelx_refln_list_code 4 _shelx_f_calc_maximum 131.46 _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' '-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 1 0 0 289.02 301.21 26.55 o 3 0 0 0.92 2.71 17.86 o 4 0 0 254.73 302.19 34.53 o 5 0 0 40.56 46.75 23.29 o 6 0 0 366.15 424.21 24.55 o 7 0 0 30.76 34.48 22.97 o 1 1 0 864.21 673.75 437.48 o 3 1 0 15.25 19.56 12.45 o 4 1 0 6845.04 7812.54 152.08 o 5 1 0 162.48 176.12 17.53 o 6 1 0 485.00 536.77 39.81 o 7 1 0 55.05 42.76 20.75 o 1 2 0 1568.82 1671.57 28.03 o 2 2 0 6473.46 5865.78 185.04 o 3 2 0 462.80 466.75 18.72 o 4 2 0 4.49 4.70 20.45 o 5 2 0 80.24 87.08 21.06 o 6 2 0 189.87 215.81 21.70 o 7 2 0 74.28 90.92 24.32 o 1 3 0 135.36 108.23 11.92 o 2 3 0 8292.45 8358.39 77.00 o 3 3 0 12.79 24.25 20.90 o 4 3 0 4497.23 4977.87 107.74 o 5 3 0 54.15 61.92 14.05 o 6 3 0 340.73 390.13 24.60 o 0 4 0 17282.16 17442.31 818.77 o 1 4 0 56.23 63.85 12.67 o 2 4 0 3702.12 3767.41 47.37 o 3 4 0 1.02 1.80 14.48 o 4 4 0 48.79 49.23 14.74 o 5 4 0 32.25 34.47 17.65 o 6 4 0 171.26 139.20 38.04 o 1 5 0 157.24 160.96 13.00 o 2 5 0 2520.31 2331.52 132.57 o 3 5 0 26.70 25.35 15.92 o 4 5 0 2009.81 2057.67 78.40 o 5 5 0 47.58 22.41 26.02 o 0 6 0 4466.37 4485.19 68.85 o 1 6 0 79.04 106.12 14.19 o 2 6 0 1393.69 1396.80 33.95 o 3 6 0 36.78 37.16 15.09 o 4 6 0 5.92 0.02 16.35 o 1 7 0 1.23 4.28 17.25 o 2 7 0 1243.28 1099.60 94.28 o 3 7 0 3.57 12.60 15.71 o -7 0 1 131.21 151.47 26.09 o -6 0 1 685.52 708.55 26.15 o -5 0 1 51.44 67.44 23.10 o -4 0 1 920.61 978.07 27.54 o -3 0 1 198.23 161.15 19.46 o -1 0 1 38.56 38.20 33.85 o 0 0 1 273.54 231.94 32.01 o 1 0 1 1093.30 1201.67 29.66 o 2 0 1 3.86 19.97 22.94 o 3 0 1 4765.79 4815.36 117.55 o 4 0 1 2145.48 2212.82 47.31 o 5 0 1 2274.59 2368.53 160.95 o 6 0 1 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27.41 o -5 4 2 1390.04 1415.73 20.42 o -4 4 2 2.57 10.43 16.81 o -3 4 2 3005.73 2981.35 95.92 o -2 4 2 373.40 364.42 12.60 o -1 4 2 83.96 92.08 13.99 o 0 4 2 19.17 20.74 13.76 o 1 4 2 2923.62 2908.39 70.28 o 2 4 2 1083.14 1094.99 23.16 o 3 4 2 1783.11 1769.34 56.35 o 4 4 2 183.17 163.06 12.95 o 5 4 2 407.58 382.60 14.67 o 6 4 2 57.12 27.97 24.14 o -5 5 2 49.14 46.27 16.69 o -4 5 2 0.12 15.42 22.20 o -3 5 2 1479.73 1488.20 65.27 o -2 5 2 128.60 113.95 13.94 o -1 5 2 5988.25 6108.57 31.64 o 0 5 2 145.03 141.10 14.87 o 1 5 2 2229.76 2252.16 41.74 o 2 5 2 0.35 0.17 12.11 o 3 5 2 10.39 4.77 14.07 o 4 5 2 161.50 140.68 15.02 o 5 5 2 53.81 41.89 28.19 o -4 6 2 6.39 16.28 22.33 o -3 6 2 1645.79 1668.74 61.74 o -2 6 2 15.89 12.83 16.24 o -1 6 2 20.89 26.02 15.48 o 0 6 2 23.97 32.23 15.64 o 1 6 2 1640.96 1709.05 40.86 o 2 6 2 204.25 172.70 14.56 o 3 6 2 930.00 933.57 45.80 o 4 6 2 12.89 12.26 22.57 o -2 7 2 11.50 30.11 17.19 o -1 7 2 1617.85 1511.43 31.29 o 0 7 2 135.04 132.46 13.61 o 1 7 2 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