#------------------------------------------------------------------------------ #$Date: 2015-10-09 15:06:26 +0300 (Fri, 09 Oct 2015) $ #$Revision: 161905 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534860.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_1534860 loop_ _publ_author_name 'Haas, H.' 'Jansen, M.' _publ_section_title ; Synthese und Charakterisierung von Na5 As O5 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1013 _journal_page_last 1016 _journal_volume 627 _journal_year 2001 _chemical_formula_sum 'As Na5 O5' _chemical_name_systematic 'Na5 O (As O4)' _space_group_IT_number 57 _symmetry_space_group_name_Hall '-P 2c 2b' _symmetry_space_group_name_H-M 'P b c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.96394 _cell_length_b 16.43335 _cell_length_c 6.42132 _cell_volume 629.338 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Haas_ZAACAB_2001_119.cif _cod_data_source_block As1Na5O5 _cod_original_cell_volume 629.3376 _cod_chemical_formula_sum_orig 'As1 Na5 O5' _cod_database_code 1534860 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y+1/2,-z -x,y+1/2,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y-1/2,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 O2 O-2 0.1125 0.02197 0.25 1 0.0 Na3 Na+1 0.4205 0.75 0 1 0.0 Na4 Na+1 0.4453 0.41152 0.25 1 0.0 Na1 Na+1 0.0859 0.27256 0.25 1 0.0 O3 O-2 0.25 0.82368 0.25 1 0.0 As1 As+5 0.30617 0.09608 0.25 1 0.0 O1 O-2 0.2536 0.15397 0.0379 1 0.0 Na2 Na+1 0.1362 0.91472 0.0076 1 0.0 O4 O-2 0.428 0.56104 0.25 1 0.0