#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/73/1537342.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_1537342 loop_ _publ_author_name 'Gorbunova, Yu.E.' 'Detkov, D.G.' 'Kokunov, Yu.V.' _publ_section_title ; Synthesis and structure of Na7 (S O4)3 Sn F3: complex anion (Sn F3)- in a cationic sodium-sulfate framework ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 1459 _journal_page_last 1462 _journal_volume 49 _journal_year 2004 _chemical_formula_sum 'F3 Na7 O12 S3 Sn' _chemical_name_systematic 'Na7 (S O4)3 (Sn F3)' _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 10.821 _cell_length_b 10.821 _cell_length_c 6.753 _cell_volume 684.798 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Gorbunova_ZNOKAQ_2004_604.cif _cod_data_source_block F3Na7O12S3Sn1 _cod_original_cell_volume 684.7975 _cod_original_formula_sum 'F3 Na7 O12 S3 Sn1' _cod_database_code 1537342 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 y,x,z+1/2 -x+y,y,z -x,-x+y,z+1/2 -y,-x,z x-y,-y,z+1/2 x,x-y,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 O2 O-2 0.291 0.371 0.386 1 0.0 O3 O-2 0.094 0.188 0.549 1 0.0 O1 O-2 0.2139 0.4278 0.669 1 0.0 Na3 Na+1 0.1741 0.3482 0.011 1 0.0 F1 F-1 0.4201 0.8402 0.051 1 0.0 Sn1 Sn+2 0.3333 0.6667 0.2453 1 0.0 Na2 Na+1 0.4706 0.9412 -0.268 1 0.0 Na1 Na+1 0 0 0.79 1 0.0 S1 S+6 0.17 0.34 0.5 1 0.0