#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/20/93/7209349.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_7209349 loop_ _publ_author_name 'Wildenauer, M.' 'Range, K.J.' _publ_section_title ; AgNb3O8-II, eine Hochdruckphase mit neuartiger Tunnelstruktur ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) ; _journal_page_first 499 _journal_page_last 501 _journal_volume 44 _journal_year 1989 _chemical_formula_sum 'Ag Nb3 O8' _space_group_IT_number 72 _symmetry_space_group_name_Hall '-I 2 2c' _symmetry_space_group_name_H-M 'I b a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.343 _cell_length_b 10.415 _cell_length_c 7.007 _cell_volume 535.877 _citation_journal_id_ASTM ZNBSEN _cod_data_source_file silver1-2_450.cif _cod_data_source_block Ag1Nb3O8 _cod_original_cell_volume 535.8768 _cod_original_formula_sum 'Ag1 Nb3 O8' _cod_database_code 7209349 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y,-z+1/2 -x,y,-z+1/2 -x,-y,-z x,y,-z -x,y,z-1/2 x,-y,z-1/2 x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z+1 -x+1/2,y+1/2,-z+1 -x+1/2,-y+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,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 O2 O-2 0.1138 0.4279 0 1 0.0 Ag1 Ag+1 0 0 0.25 1 0.0 Nb1 Nb+5 0 0.5 0.75 1 0.0 O1 O-2 0.9893 0.1714 0 1 0.0 O3 O-2 0.1918 0.3569 0.2993 1 0.0 Nb2 Nb+5 0.2529 0.26755 0 1 0.0