#------------------------------------------------------------------------------ #$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $ #$Revision: 717 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104344.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_2104344_Fobs loop_ _publ_author_name 'St\"oger, Berthold' 'Weil, Matthias' 'Zobetz, Erich' 'Giester, Gerald' _publ_section_title ; Polymorphism of CaTeO~3~ and solid solutions Ca~x~Sr~1{-~x}TeO~3~ ; _journal_coeditor_code SN5078 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 167 _journal_page_last 181 _journal_volume 65 _journal_year 2009 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 109.975 _cell_angle_gamma 90.000 _cell_length_a 8.5689 _cell_length_b 5.7805 _cell_length_c 11.5531 _exptl_crystal_F_000 624.24 _reflns_d_resolution_high 0.6900 _[local]_cod_data_source_file sn5078Ca0.55Sr0.45TeO3sup11.hkl _[local]_cod_data_source_block Ca0.55Sr0.45TeO3 #BEGIN Tags that were not found in dictionaries: _shelx_title ' sad in P2(1)' _shelx_refln_list_code 4 _shelx_F_calc_maximum 306.72 _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' 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 -8 0 13.91 34.15 20.37 o 1 -8 0 239.55 280.61 25.21 o 2 -8 0 111.89 149.22 20.19 o 3 -8 0 354.53 383.70 44.02 o 1 -7 0 142.55 161.64 18.30 o 2 -7 0 287.85 353.62 25.24 o 3 -7 0 593.63 603.62 32.31 o 4 -7 0 88.64 92.87 24.90 o 5 -7 0 1341.42 1421.19 79.53 o 6 -7 0 52.56 42.21 20.77 o 0 -6 0 2524.84 2441.89 96.17 o 1 -6 0 598.10 651.73 29.71 o 2 -6 0 18.84 23.53 10.03 o 3 -6 0 2637.38 2516.07 71.90 o 4 -6 0 3449.46 3458.39 93.32 o 5 -6 0 703.68 651.00 47.92 o 6 -6 0 2557.68 2399.11 108.20 o 7 -6 0 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