#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/85/1538544.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_1538544 loop_ _publ_author_name 'Saalfeld, H.' _publ_section_title ; Untersuchungen ueber die Nosean-Struktur ; _journal_name_full ; Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) ; _journal_page_first 38 _journal_page_last 46 _journal_volume 1959 _journal_year 1959 _chemical_formula_sum 'Al6 Na8 O28 S Si6' _chemical_name_systematic 'Na8 (Al6 Si6 O24) (S O4)' _space_group_IT_number 215 _symmetry_space_group_name_Hall 'P -4 2 3' _symmetry_space_group_name_H-M 'P -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 9.05 _cell_length_b 9.05 _cell_length_c 9.05 _cell_volume 741.218 _citation_journal_id_ASTM NJMMAW _cod_data_source_file Saalfeld_NJMMAW_1959_1981.cif _cod_data_source_block Al6Na8O28S1Si6 _cod_original_cell_volume 741.2177 _cod_original_formula_sum 'Al6 Na8 O28 S1 Si6' _cod_database_code 1538544 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 z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x 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 S1 S+6 0 0 0 0.5 0.0 O2 O-2 0.645 0.645 -0.028 1 0.0 Na2 Na+1 0.735 0.735 0.735 1 0.0 S2 S+6 0.5 0.5 0.5 0.5 0.0 O1 O-2 0.144 0.144 0.473 1 0.0 Al1 Al+3 0.25 0.5 0 0.5 0.0 Na1 Na+1 0.175 0.175 0.175 1 0.0 O3 O-2 0.883 0.883 0.883 0.5 0.0 Si1 Si+4 0.25 0.5 0 0.5 0.0 O4 O-2 0.373 0.373 0.373 0.5 0.0