#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/07/2310732.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_2310732 loop_ _publ_author_name 'Berger, S.V.' _publ_section_title ; The Crystal Structure of B2 O3 ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 389 _journal_page_last 389 _journal_volume 5 _journal_year 1952 _chemical_formula_sum 'B2 O3' _space_group_IT_number 144 _symmetry_space_group_name_Hall 'P 31' _symmetry_space_group_name_H-M 'P 31' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 4.325 _cell_length_b 4.325 _cell_length_c 8.317 _cell_volume 134.732 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Berger_ACCRA9_1952_166.cif _cod_data_source_block B2O3 _cod_original_cell_volume 134.7316 _cod_database_code 2310732 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z+1/3 -x+y,-x,z+2/3 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 O2 O-2 0.46 0.79 0.07 1 0.0 O3 O-2 0.51 0.23 0.56 1 0.0 B1 B+3 0.54 0.15 0.02 1 0.0 O1 O-2 0.2 0.15 0 1 0.0 B2 B+3 0.59 0.77 0.26 1 0.0