#------------------------------------------------------------------------------ #$Date: 2015-07-12 22:01:46 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148315 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527027.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_1527027 loop_ _publ_author_name 'Yonkeu, A.L.' 'Buschmann, V.' 'Goossens, A.M.' 'Miehe, G.' 'Martens, J.A.' 'Fuess, H.' _publ_section_title ; Structural characterization of a new "core-shell" zeolite overgrowth system: faujasite on micro-sized EMT crystals ; _journal_name_full 'Crystal Engineering' _journal_page_first 253 _journal_page_last 267 _journal_volume 4 _journal_year 2001 _chemical_formula_sum 'Al20 Na20 O192 Si76' _chemical_name_systematic 'Na20 (Al20 Si76 O192)' _space_group_IT_number 194 _symmetry_space_group_name_Hall '-P 6c 2c' _symmetry_space_group_name_H-M 'P 63/m m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _cell_length_a 17.4426 _cell_length_b 17.4426 _cell_length_c 28.446 _cell_volume 7495.046 _citation_journal_id_ASTM CRYEF8 _cod_data_source_file Yonkeu_CRYEF8_2001_985.cif _cod_data_source_block Al20Na20O192Si76 _cod_original_cell_volume 7495.045 _cod_database_code 1527027 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 -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 Na3 Na+1 0.405 0.2025 0.383 0.79 0.0 Al2 Al+3 0.428 0.039 0.109 0.2083 0.0 O4 O-2 0.405 0.093 0.071 1 0.0 O9 O-2 0.591 0.182 -0.076 1 0.0 Al4 Al+3 0.488 0.154 0.196 0.2083 0.0 O3 O-2 0.34 0.17 0.016 1 0.0 Al3 Al+3 0.484 0.151 -0.072 0.2083 0.0 Al1 Al+3 0.374 0.096 0.019 0.2083 0.0 Si4 Si+4 0.488 0.154 0.196 0.7917 0.0 O12 O-2 0.453 0.127 0.25 1 0.0 Na2 Na+1 0.3333 0.6667 0.103 0.6 0.0 O10 O-2 0.475 0.2375 0.179 1 0.0 O11 O-2 0.592 0.184 0.193 1 0.0 O2 O-2 0.293 0 0 1 0.0 O1 O-2 0.456 0.126 -0.018 1 0.0 O7 O-2 0.53 0.06 0.097 1 0.0 O5 O-2 0.428 0.071 0.162 1 0.0 Si1 Si+4 0.374 0.096 0.019 0.7917 0.0 Na1 Na+1 0.555 0.11 0.014 0.6 0.0 Si2 Si+4 0.428 0.039 0.109 0.7917 0.0 O6 O-2 0.361 -0.069 0.108 1 0.0 O8 O-2 0.475 0.2375 -0.089 1 0.0 Si3 Si+4 0.484 0.151 -0.072 0.7917 0.0