#------------------------------------------------------------------------------ #$Date: 2015-09-05 14:44:07 +0300 (Sat, 05 Sep 2015) $ #$Revision: 154491 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/98/1529840.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_1529840 loop_ _publ_author_name 'de Bournonville, M.B.' 'Bizot, D.' 'Chassaing, J.' 'Quarton, M.' _publ_section_title ; Structures et proprietes magnetiques de Li2 Nb F6 et Na2 Nb F6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 212 _journal_page_last 219 _journal_volume 62 _journal_year 1986 _chemical_formula_sum 'F6 Na2 Nb' _chemical_name_systematic 'Na2 Nb F6' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.042 _cell_length_b 5.042 _cell_length_c 10.2767 _cell_volume 261.252 _citation_journal_id_ASTM JSSCBI _cod_data_source_file deBournonville_JSSCBI_1986_1135.cif _cod_data_source_block F6Na2Nb1 _cod_original_cell_volume 261.2518 _cod_chemical_formula_sum_orig 'F6 Na2 Nb1' _cod_database_code 1529840 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,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 F2 F-1 0.309 0.309 0.359 1 0.0 Nb1 Nb+4 0 0 0 1 0.0 Na1 Na+1 0 0 0.336 1 0.0 F1 F-1 0.285 0.285 0 1 0.0