#------------------------------------------------------------------------------ #$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176768 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/54/2105402.cif $ #------------------------------------------------------------------------------ # # 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_2105402 loop_ _publ_author_name 'Perloff, A.' 'Hyman, A.' _publ_section_title ; The crystal structure of bismuth (2/1) borate, (Bi2 O3 B2 O3)2 ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 2007 _journal_page_last 2011 _journal_paper_doi 10.1107/S0567740872005436 _journal_volume 28 _journal_year 1972 _chemical_formula_sum 'B2 Bi4 O9' _chemical_name_systematic 'Bi4 B2 O9' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 91.04 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.107 _cell_length_b 6.627 _cell_length_c 11.044 _cell_volume 812.772 _citation_journal_id_ASTM ACBCAR _cod_data_source_file boron_25.cif _cod_data_source_block B2Bi4O9 _cod_original_cell_volume 812.7717 _cod_database_code 2105402 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O6 O-2 0.6788 0.2291 0.3674 1 0.0 O3 O-2 0.8642 0.1565 0.2818 1 0.0 O1 O-2 0.4976 0.1053 0.1058 1 0.0 O9 O-2 0.7108 0.3139 0.1593 1 0.0 Bi1 Bi+3 0.99203 0.48234 0.34689 1 0.0 O8 O-2 0.34 0.3205 0.2803 1 0.0 B2 B+3 0.2288 0.258 0.2524 1 0.0 Bi2 Bi+3 0.80532 0.04765 0.49151 1 0.0 O4 O-2 0.9203 0.1528 0.0125 1 0.0 B1 B+3 0.7514 0.2352 0.2668 1 0.0 O7 O-2 0.147 0.2461 0.3535 1 0.0 Bi4 Bi+3 0.34298 0.43779 0.48132 1 0.0 O5 O-2 0.1888 0.2092 0.1403 1 0.0 Bi3 Bi+3 0.50217 0.42316 0.15923 1 0.0 O2 O-2 0.3806 0.1055 0.498 1 0.0