#------------------------------------------------------------------------------ #$Date: 2013-04-20 00:09:03 +0300 (Sat, 20 Apr 2013) $ #$Revision: 82021 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/92/1509212.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1509212 loop_ _publ_author_name 'Brachtel, G.' 'Jansen, M.' _publ_section_title ; Silber(I)-metaborat, Ag B O2 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 13 _journal_page_last 19 _journal_volume 478 _journal_year 1981 _chemical_formula_sum 'Ag B O2' _chemical_name_systematic 'Ag (B O2)' _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 32 _cell_length_a 8.441 _cell_length_b 8.68 _cell_length_c 19.741 _cell_volume 1446.381 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file silver1-2_57.cif _[local]_cod_data_source_block Ag1B1O2 _[local]_cod_chemical_formula_sum_orig 'Ag1 B1 O2' _cod_database_code 1509212 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x,y,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z-1/2 -x-1/2,y-1/2,z x,-y,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 B3 B+3 0.4382 0.4564 0.3251 1 0.0 Ag4 Ag+1 0.197 0.2559 0.26513 1 0.0 O3 O-2 0.5729 0.2236 0.4408 1 0.0 B4 B+3 0.6093 0.2412 0.3662 1 0.0 O1 O-2 0.7898 0.0454 0.4405 1 0.0 Ag1 Ag+1 0 0 0 1 0.0 O8 O-2 0.2924 0.5041 0.3068 1 0.0 O6 O-2 0.6841 0.1249 0.5437 1 0.0 Ag3 Ag+1 -0.0082 0.3043 0.39143 1 0.0 Ag2 Ag+1 0 0.535 0.25 1 0.0 Ag5 Ag+1 0.2907 0.1301 0.41493 1 0.0 O7 O-2 0.4666 0.3002 0.334 1 0.0 B2 B+3 0.7813 0.0106 0.366 1 0.0 O4 O-2 0.7426 0.3493 0.3549 1 0.0 O2 O-2 0.6504 0.0946 0.3358 1 0.0 B1 B+3 0.6758 0.1329 0.4768 1 0.0 O5 O-2 0.9407 0.0586 0.3388 1 0.0