#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/55/1525575.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_1525575 loop_ _publ_author_name 'Amparo Palacio, L.' 'Echavarria, A.' 'Saldarriaga, C.' _publ_section_title ; Crystal structure of a cobalt molybdate type phix: Na Co2 O H (H2 O) (Mo O4)2 ; _journal_name_full 'International Journal of Inorganic Materials' _journal_page_first 367 _journal_page_last 371 _journal_volume 3 _journal_year 2001 _chemical_formula_sum 'Co2 H3 Mo2 Na O10' _chemical_name_systematic 'Na Co2 (O H) (Mo O4)2 (H2 O)' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 115.832 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 9.3792 _cell_length_b 6.3331 _cell_length_c 7.6281 _cell_volume 407.828 _citation_journal_id_ASTM IJIMCR _cod_data_source_file AmparoPalacio_IJIMCR_2001_1475.cif _cod_data_source_block H3Co2Mo2Na1O10 _cod_original_cell_volume 407.8284 _cod_original_formula_sum 'H3 Co2 Mo2 Na1 O10' _cod_database_code 1525575 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -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 O3 O-2 0.7442 0 0.0305 1 0.0 Co1 Co+2 0.25 0.25 0.5 1 0.0 Na1 Na+1 0 0 0 1 0.0 O2 O-2 0.4626 0.2346 0.7617 1 0.0 O4 O-2 0.6797 0 0.622 1 0.0 O1 O-2 0.1405 0 0.5886 1 0.0 Mo1 Mo+6 0.5809 0 0.787 1 0.0