#------------------------------------------------------------------------------ #$Date: 2015-09-06 16:01:34 +0300 (Sun, 06 Sep 2015) $ #$Revision: 154817 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/99/1529906.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_1529906 loop_ _publ_author_name 'Emiraliev, A.' 'Yamzin, I.I.' _publ_section_title ; A neutron-diffraction study of the structure of hydrosodalite ; _journal_name_full Kristallografiya _journal_page_first 57 _journal_page_last 60 _journal_volume 23 _journal_year 1978 _chemical_formula_sum 'Al6 H0.9 Na8 O24.9 Si6' _chemical_name_systematic 'Na8 (Si6 Al6 O24) (O H)2 (H2 O)1.78' _space_group_IT_number 218 _symmetry_space_group_name_Hall 'P -4n 2 3' _symmetry_space_group_name_H-M 'P -4 3 n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 8.888 _cell_length_b 8.888 _cell_length_c 8.888 _cell_volume 702.121 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Emiraliev_KRISAJ_1978_305.cif _cod_data_source_block Al6H0.9Na8O24.9Si6 _cod_original_cell_volume 702.1212 _cod_database_code 1529906 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,-y,-z -y+1/2,-x+1/2,z+1/2 -x,y,-z y+1/2,x+1/2,z+1/2 z,x,y x+1/2,-z+1/2,-y+1/2 -z,-x,y -x+1/2,z+1/2,-y+1/2 z,-x,-y -x+1/2,-z+1/2,y+1/2 -z,x,-y x+1/2,z+1/2,y+1/2 y,z,x y,-z,-x -z+1/2,-y+1/2,x+1/2 -y,z,-x z+1/2,y+1/2,x+1/2 -y,-z,x -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+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 O2 O-2 0 0 0 0.45 0.0 O1 O-2 0.1395 0.4395 0.15 1 0.0 Al1 Al+3 0.25 0.5 0 1 0.0 Na1 Na+1 0.1767 0.1767 0.1767 1 0.0 Si1 Si+4 0.25 0 0.5 1 0.0 H1 H+1 0.124 0 0 0.075 0.0