#------------------------------------------------------------------------------ #$Date: 2013-05-01 01:21:34 +0300 (Wed, 01 May 2013) $ #$Revision: 83126 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/02/78/4027820.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_4027820 loop_ _publ_author_name 'Schneider, A.M.' 'Mandar, H.' 'Felsche, J.' 'Behrens, P.' 'Engelhardt, G.' 'Eiden-Assmann, S.' _publ_section_title ; Silver hydrosodalite (Ag3 (H2 O)4)2 (Al3 Si3 O12)2: synthesis and structure determination by combination of X-ray refinement, thermogravimetry, FT-IR and (1)H-MAS NMR spectroscopy ; _journal_name_full 'European Journal of Inorganic Chemistry' _journal_page_first 1527 _journal_page_last 1534 _journal_volume 2001 _journal_year 2001 _chemical_formula_sum 'Ag3 Al3 O15 Si3' _chemical_name_systematic '(Ag3 (H2 O)4) (Al3 Si3 O12)' _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 2 _cell_length_a 8.95 _cell_length_b 8.95 _cell_length_c 8.95 _cell_volume 716.917 _citation_journal_id_ASTM EJICFO _[local]_cod_data_source_file silver3-x_6.cif _[local]_cod_data_source_block Ag3Al3O15Si3 _cod_original_cell_volume 716.9174 _cod_database_code 4027820 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 Al1 Al+3 0.25 0 0.5 1 0.0 Ag1 Ag+1 0.1729 0.1729 0.1729 0.5 0.0 O2 O-2 0.4 0.4 0.4 0.75 0.0 O1 O-2 0.1392 0.1473 0.442 1 0.0 Ag2 Ag+1 0.3103 0.3103 0.3103 0.25 0.0 Si1 Si+4 0.25 0.5 0 1 0.0