#------------------------------------------------------------------------------ #$Date: 2015-10-14 19:20:10 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168944 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539863.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_1539863 loop_ _publ_author_name 'Briscoe, N.A.' 'Johnson, D.W.jr.' 'Kokotailo, G.T.' 'Shannon, M.D.' 'McCusker, L.B.' _publ_section_title ; The framework topology of zeolite EU-1 ; _journal_name_full Zeolites _journal_page_first 74 _journal_page_last 76 _journal_volume 8 _journal_year 1988 _chemical_formula_sum 'O2 Si' _chemical_name_systematic 'Si O2' _space_group_IT_number 67 _symmetry_space_group_name_Hall '-C 2a 2' _symmetry_space_group_name_H-M 'C m m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 112 _cell_length_a 13.695 _cell_length_b 22.326 _cell_length_c 20.178 _cell_volume 6169.516 _citation_journal_id_ASTM ZEOLD3 _cod_data_source_file Briscoe_ZEOLD3_1988_541.cif _cod_data_source_block O2Si1 _cod_chemical_formula_sum_orig 'O2 Si1' _cod_database_code 1539863 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z x,-y,-z -x+1/2,y,-z -x,-y,-z x-1/2,y,-z -x,y,z x-1/2,-y,z x+1/2,y+1/2,z -x+1,-y+1/2,z x+1/2,-y+1/2,-z -x+1,y+1/2,-z -x+1/2,-y+1/2,-z x,y+1/2,-z -x+1/2,y+1/2,z x,-y+1/2,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 O2 O-2 0.158 0.3068 0.089 1 0.0 O4 O-2 0.25 0.363 0 1 0.0 Si2 Si+4 0.187 0.3703 0.063 1 0.0 Si9 Si+4 0 0.45 0.308 1 0.0 O16 O-2 0.244 0.391 0.374 1 0.0 O20 O-2 0 0.485 0.376 1 0.0 Si7 Si+4 0.191 0.3739 0.308 1 0.0 Si1 Si+4 0.115 0.25 0.123 1 0.0 O19 O-2 0.404 0.425 0.427 1 0.0 O15 O-2 0.094 0.409 0.303 1 0.0 O3 O-2 0.139 0.25 0.199 1 0.0 O1 O-2 0 0.25 0.113 1 0.0 Si4 Si+4 0 0.448 0.053 1 0.0 O8 O-2 0.405 0.431 0.176 1 0.0 Si3 Si+4 0.289 0.4315 0.185 1 0.0 O11 O-2 0 0.477 0.126 1 0.0 O18 O-2 0.25 0.403 0.5 1 0.0 O7 O-2 0.25 0.5 0.196 1 0.0 Si5 Si+4 0 0.528 0.181 1 0.0 O5 O-2 0.245 0.405 0.118 1 0.0 O9 O-2 0.26 0.389 0.246 1 0.0 O10 O-2 0 0.5 0 1 0.0 O17 O-2 0.25 0.5 0.424 1 0.0 O14 O-2 0.164 0.3065 0.309 1 0.0 Si6 Si+4 0.117 0.25 0.277 1 0.0 O6 O-2 0.094 0.407 0.044 1 0.0 O12 O-2 0 0.497 0.251 1 0.0 Si10 Si+4 0 0.534 0.432 1 0.0 O13 O-2 0 0.25 0.289 1 0.0 Si8 Si+4 0.287 0.4302 0.431 1 0.0 O21 O-2 0 0.5 0.5 1 0.0