#------------------------------------------------------------------------------ #$Date: 2016-01-03 13:27:42 +0200 (Sun, 03 Jan 2016) $ #$Revision: 173053 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/03/2020373.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2020373 loop_ _publ_author_name 'Artioli, G.' 'Pluth, J.J.' 'Smith, J.V.' _publ_section_title ; Synthetic Phosphorus-Substituted Analcime, Na13 Al24 Si13 P11 O96 * 16H2 O, with Ordered Al and Si/P ; _journal_name_full 'Acta Crystallographica C (39,1983-)' _journal_page_first 214 _journal_page_last 217 _journal_volume 40 _journal_year 1984 _chemical_formula_sum 'Al24 H32 Na13 O112 P11 Si13' _chemical_name_systematic 'Na13 Al24 Si13 P11 O96 (H2 O)16' _space_group_IT_number 214 _symmetry_space_group_name_Hall 'I 4bd 2c 3' _symmetry_space_group_name_H-M 'I 41 3 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 13.729 _cell_length_b 13.729 _cell_length_c 13.729 _cell_volume 2587.717 _citation_journal_id_ASTM ACSCEE _cod_data_source_file Artioli_ACSCEE_1984_1321.cif _cod_data_source_block H32Al24Na13O112P11Si13 _cod_chemical_formula_sum_orig 'H32 Al24 Na13 O112 P11 Si13' _cod_database_code 2020373 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/4,x+3/4,z+1/4 -x+1/2,-y,z+1/2 y+1/4,-x+1/4,z+3/4 x,-y,-z+1/2 y+1/4,x+3/4,-z+3/4 -x+1/2,y,-z -y+1/4,-x+1/4,-z+1/4 z,x,y -x+1/4,z+3/4,y+1/4 -z+1/2,-x,y+1/2 x+1/4,-z+1/4,y+3/4 z,-x,-y+1/2 x+1/4,z+3/4,-y+3/4 -z+1/2,x,-y -x+1/4,-z+1/4,-y+1/4 y,z,x y+1/2,-z+1/2,-x z+3/4,y+1/4,-x+1/4 -y,z+1/2,-x+1/2 -z+1/4,-y+1/4,-x+1/4 -y+1/2,-z,x+1/2 z+3/4,-y+3/4,x+1/4 -z+3/4,y+1/4,x+3/4 x+1/2,y+1/2,z+1/2 -y+3/4,x+5/4,z+3/4 -x+1,-y+1/2,z+1 y+3/4,-x+3/4,z+5/4 x+1/2,-y+1/2,-z+1 y+3/4,x+5/4,-z+5/4 -x+1,y+1/2,-z+1/2 -y+3/4,-x+3/4,-z+3/4 z+1/2,x+1/2,y+1/2 -x+3/4,z+5/4,y+3/4 -z+1,-x+1/2,y+1 x+3/4,-z+3/4,y+5/4 z+1/2,-x+1/2,-y+1 x+3/4,z+5/4,-y+5/4 -z+1,x+1/2,-y+1/2 -x+3/4,-z+3/4,-y+3/4 y+1/2,z+1/2,x+1/2 y+1,-z+1,-x+1/2 z+5/4,y+3/4,-x+3/4 -y+1/2,z+1,-x+1 -z+3/4,-y+3/4,-x+3/4 -y+1,-z+1/2,x+1 z+5/4,-y+5/4,x+3/4 -z+5/4,y+3/4,x+5/4 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 O1 O-2 0.3959 0.1247 0.2853 1 0.0 O4 O-2 0.375 0.375 0.375 1 0.0 Na2 Na+1 0.625 0 0.25 0.5 0.0 O2 O-2 0.2244 0.1033 0.3579 1 0.0 P1 P+5 0.3365 0.0865 0.375 0.46 0.0 Si1 Si+4 0.3365 0.0865 0.375 0.54 0.0 Al1 Al+3 0.125 0.1612 0.4112 1 0.0 Na1 Na+1 0.125 0 0.25 0.58 0.0 O3 O-2 0.125 0.125 0.125 1 0.0