#------------------------------------------------------------------------------ #$Date: 2013-04-20 00:05:47 +0300 (Sat, 20 Apr 2013) $ #$Revision: 81995 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/91/1509199.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_1509199 loop_ _publ_author_name 'Jansen, M.' 'Curda, J.' 'Peters, E.M.' _publ_section_title ; Ein Metaarsenat(V) Anion neuartiger Konstitution in Ag As O3 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 491 _journal_page_last 494 _journal_volume 630 _journal_year 2004 _chemical_formula_sum 'Ag As O3' _chemical_name_systematic 'Ag (As O3)' _space_group_IT_number 29 _symmetry_space_group_name_Hall 'P 2c -2ac' _symmetry_space_group_name_H-M 'P c a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 24 _cell_length_a 19.488 _cell_length_b 6.6 _cell_length_c 12.661 _cell_volume 1628.468 _citation_journal_id_ASTM ZAACAB _[local]_cod_data_source_file silver1-2_33.cif _[local]_cod_data_source_block Ag1As1O3 _[local]_cod_chemical_formula_sum_orig 'Ag1 As1 O3' _cod_database_code 1509199 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 -x+1/2,y,z+1/2 x+1/2,-y,z 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 O4 O-2 0.7757 -0.0188 0.7144 1 0.0 Ag3 Ag+1 0.9416 0.4965 0.8724 1 0.0 O17 O-2 0.6104 0.7237 0.0205 1 0.0 O18 O-2 0.5608 0.3241 0.9905 1 0.0 Ag6 Ag+1 0.8649 0.1041 0.6289 1 0.0 O7 O-2 0.5315 0.834 0.8665 1 0.0 O15 O-2 0.5803 0.4912 0.1903 1 0.0 O2 O-2 0.6399 0.04 0.9325 1 0.0 O13 O-2 0.8168 0.4597 0.8834 1 0.0 Ag5 Ag+1 0.6126 0.5371 0.636 1 0.0 O16 O-2 0.4738 0.6122 0.0522 1 0.0 O1 O-2 0.6088 0.5442 0.8301 1 0.0 O6 O-2 0.6863 0.2654 0.7719 1 0.0 O3 O-2 0.6724 0.1041 0.5752 1 0.0 As1 As+5 0.6955 0.0493 0.6953 1 0.0 As6 As+5 0.6246 0.793 0.8822 1 0.0 As3 As+5 0.7556 0.5445 0.9599 1 0.0 Ag2 Ag+1 0.8015 0.602 0.7123 1 0.0 O14 O-2 0.78 0.6131 0.0786 1 0.0 Ag1 Ag+1 0.5521 0.0002 0.5469 1 0.0 Ag4 Ag+1 0.8094 0.0643 0.8942 1 0.0 O8 O-2 0.4738 -0.0307 0.6776 1 0.0 As5 As+5 0.6239 0.2928 0.881 1 0.0 O12 O-2 0.7183 0.7508 0.8984 1 0.0 O9 O-2 0.4261 0.1106 0.8728 1 0.0 As2 As+5 0.4935 0.0337 0.8002 1 0.0 As4 As+5 0.5539 0.5405 0.0679 1 0.0 O11 O-2 0.6928 0.363 0.9734 1 0.0 O10 O-2 0.5538 0.2266 0.7911 1 0.0 O5 O-2 0.638 0.8679 0.7448 1 0.0