#------------------------------------------------------------------------------ #$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $ #$Revision: 717 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104341.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_2104341_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 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 108.608 _cell_angle_beta 112.394 _cell_angle_gamma 32.313 _cell_length_a 25.6149 _cell_length_b 10.3921 _cell_length_c 11.2440 _exptl_crystal_F_000 1728.00 _reflns_d_resolution_high 0.6011 _[local]_cod_data_source_file sn5078bprime-CaTeO3-250sup8.hkl _[local]_cod_data_source_block bprime-CaTeO3-250 #BEGIN Tags that were not found in dictionaries: _shelx_title ' p-1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 948.72 _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, -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 2 0 0 533.42 617.41 37.06 o 3 0 0 12051.24 11754.35 209.80 o 4 0 0 1180.02 1289.76 49.34 o 5 0 0 3781.82 4016.06 192.98 o 6 0 0 19094.24 17729.71 269.12 o 7 0 0 6470.96 6740.54 252.50 o 8 0 0 1898.90 1912.72 185.28 o 9 0 0 611.89 703.79 83.81 o 10 0 0 21697.18 21320.86 429.84 o 11 0 0 8256.61 7935.65 238.72 o 12 0 0 4289.26 4574.77 195.93 o 13 0 0 5827.49 5573.33 304.07 o 14 0 0 4195.11 4699.59 255.41 o 15 0 0 1166.80 1203.99 166.64 o 16 0 0 978.28 1289.96 400.00 o 17 0 0 6253.87 6179.57 403.27 o 18 0 0 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