#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/64/2016499.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_2016499_Fobs loop_ _publ_author_name 'Redhammer, G\"unther J.' 'Roth, Georg' 'Topa, Dan' 'Amthauer, Georg' _publ_section_title ; Synthetic aenigmatite analog Na~2~(Mn~5.26~Na~0.74~)Ge~6~O~20~: structure and crystal chemical considerations ; _journal_coeditor_code IZ3033 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i21 _journal_page_last i26 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 106.707 _cell_angle_beta 95.809 _cell_angle_gamma 124.367 _cell_length_a 10.5578 _cell_length_b 11.1532 _cell_length_c 9.1833 _exptl_crystal_F_000 1027.70 _reflns_d_resolution_high 0.7902 _[local]_cod_data_source_file iz3033Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' NMG_C' _shelx_refln_list_code 4 _shelx_F_calc_maximum 454.96 _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' 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 16.26 23.11 9.23 o 2 0 0 6.04 48.78 22.77 o 3 0 0 34137.41 34070.34 533.05 o 4 0 0 13695.58 12465.18 296.42 o 5 0 0 13018.64 12070.58 329.96 o 6 0 0 6845.89 6083.92 280.47 o 7 0 0 2244.18 1852.87 335.50 o 8 0 0 7203.45 6777.68 654.23 o 9 0 0 4050.26 4173.53 539.01 o 10 0 0 333.84 387.44 205.60 o -10 1 0 2899.08 2979.78 485.54 o -9 1 0 3364.08 3312.62 469.47 o -8 1 0 71.07 10.80 111.31 o -7 1 0 148.24 172.27 83.14 o -6 1 0 3864.16 3800.54 205.30 o -5 1 0 1856.62 1861.68 128.25 o -4 1 0 11604.98 11564.80 451.13 o -3 1 0 693.71 817.27 60.81 o -1 1 0 278.91 371.48 31.26 o 0 1 0 1109.58 1283.54 65.57 o 1 1 0 1461.77 1281.14 106.33 o 3 1 0 6.98 49.94 36.71 o 4 1 0 263.54 364.15 68.06 o 5 1 0 3021.56 2802.37 192.22 o 6 1 0 5098.83 4238.25 567.18 o 7 1 0 567.60 710.62 233.19 o 8 1 0 6.92 161.56 138.46 o 9 1 0 1003.17 925.85 282.71 o -11 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