#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542196.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_1542196 loop_ _publ_author_name 'le Flem, G.' 'Olazcuaga, R.' _publ_section_title ; Sur quelques solutions solides de structure Sr3 (P O4)2 caracterisees par des substitutions lacunaires ou couplees ; _journal_name_full 'Bulletin de la Societe Chimique de France (Vol=Year)' _journal_page_first 2769 _journal_page_last 2780 _journal_volume 1968 _journal_year 1968 _chemical_formula_sum 'Ca Na O4 V' _chemical_name_systematic 'Na Ca V O4' _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 5.86 _cell_length_b 9.255 _cell_length_c 7.124 _cell_volume 386.365 _citation_journal_id_ASTM BSCFAS _cod_data_source_file leFlem_BSCFAS_1968_399.cif _cod_data_source_block Ca1Na1O4V1 _cod_original_cell_volume 386.3652 _cod_original_formula_sum 'Ca1 Na1 O4 V1' _cod_database_code 1542196 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 Na1 Na+1 0 0.5 0 1 0.0 O2 O-2 0 0.25 0.56 1 0.0 O1 O-2 0.265 0.445 0.25 1 0.0 V1 V+5 0 0.848 0.25 1 0.0 Ca1 Ca+2 0 0.17 0.25 1 0.0