#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104338.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_2104338_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 107.232 _cell_angle_beta 110.255 _cell_angle_gamma 33.020 _cell_length_a 25.6231 _cell_length_b 10.2467 _cell_length_c 11.3413 _exptl_crystal_F_000 1728.00 _reflns_d_resolution_high 0.6017 _[local]_cod_data_source_file sn5078b-CaTeO3-325sup5.hkl _[local]_cod_data_source_block b-CaTeO3-325 #BEGIN Tags that were not found in dictionaries: _shelx_title ' p-1 in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 920.01 _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 3523.89 3412.49 62.02 o 3 0 0 17228.94 16371.21 373.69 o 4 0 0 7007.71 6965.10 228.04 o 5 0 0 54.12 95.87 24.65 o 6 0 0 64060.08 60260.62 2046.27 o 7 0 0 1.07 163.61 26.14 o 8 0 0 1595.29 1657.03 46.80 o 9 0 0 40.88 146.61 61.00 o 10 0 0 16503.49 15818.45 336.84 o 11 0 0 5534.03 6080.31 209.56 o 12 0 0 667.74 735.93 98.62 o 13 0 0 409.22 804.65 252.76 o 14 0 0 230.21 222.72 108.89 o 15 0 0 13247.05 13005.09 444.72 o 16 0 0 2661.02 2522.00 215.56 o 17 0 0 844.05 1514.68 267.43 o 18 0 0 24513.97 26596.90 974.02 o 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