#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527191.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_1527191 loop_ _publ_author_name 'Brown, D.' 'Easey, J.F.' 'Rickard, C.E.F.' _publ_section_title ; Cubic coordination: Crystal structure of sodium octafluoroprotactinate(V) ; _journal_name_full ; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) ; _journal_page_first 1161 _journal_page_last 1164 _journal_volume 1969 _journal_year 1969 _chemical_formula_sum 'F8 Na3 Pa' _chemical_name_systematic 'Na3 Pa F8' _space_group_IT_number 139 _symmetry_space_group_name_Hall '-I 4 2' _symmetry_space_group_name_H-M 'I 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.493 _cell_length_b 5.493 _cell_length_c 10.97 _cell_volume 330.998 _citation_journal_id_ASTM JCSIAP _cod_data_source_file Brown_JCSIAP_1969_1873.cif _cod_data_source_block F8Na3Pa1 _cod_original_cell_volume 330.9984 _cod_original_formula_sum 'F8 Na3 Pa1' _cod_database_code 1527191 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z+1/2 -y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,-z+1/2 y+1/2,-x+1/2,-z+1/2 x+1/2,y+1/2,-z+1/2 -y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+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 Pa1 Pa+5 0 0 0 1 0.0 Na2 Na+1 0 0.5 0.25 1 0.0 F1 F-1 0.2363 0.2363 0.1126 1 0.0 Na1 Na+1 0 0 0.5 1 0.0