#------------------------------------------------------------------------------ #$Date: 2015-10-09 22:02:21 +0300 (Fri, 09 Oct 2015) $ #$Revision: 162858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/54/1535468.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_1535468 loop_ _publ_author_name 'Moeller, A.' 'Freimuth, A.' 'Sobotka, B.M.' 'Baier, J.' _publ_section_title ; Ein Natrium-Oxocobaltat(II)-Sulfat: Na8 (Co O3) (S O4)2 ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 2705 _journal_page_last 2708 _journal_volume 628 _journal_year 2002 _chemical_formula_sum 'Co Na8 O11 S2' _chemical_name_systematic 'Na8 (Co O3) (S O4)2' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.0688 _cell_length_b 22.321 _cell_length_c 7.0597 _cell_volume 1271.478 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Moeller_ZAACAB_2002_704.cif _cod_data_source_block Co1Na8O11S2 _cod_chemical_formula_sum_orig 'Co1 Na8 O11 S2' _cod_database_code 1535468 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-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 Na3 Na+1 0 0.26381 0.25 1 0.0 O11 O-2 0.5 0.05996 0.9199 1 0.0 O2 O-2 0 0.16604 0.25 1 0.0 Na2 Na+1 0.2058 0.1582 0.0278 1 0.0 S1 S+6 0.5 0.09741 0.75 1 0.0 Na1 Na+1 0.2577 0 0 1 0.0 Co1 Co+2 0 0.07939 0.25 1 0.0 O21 O-2 0.3545 0.7599 0.5831 0.5 0.0 O1 O-2 0.2179 0.06086 0.25 1 0.0 O22 O-2 0.543 0.7027 0.75 0.5 0.0 Na4 Na+1 0.5 0.07766 0.25 1 0.0 O12 O-2 0.3518 0.1363 0.75 1 0.0 O23 O-2 0.545 0.8139 0.698 0.25 0.0 S2 S+6 0.4767 0.75852 0.75 0.5 0.0