#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/63/1526301.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_1526301 loop_ _publ_author_name 'Healey, A.M.' 'Henry, P.F.' 'Weller, M.T.' 'Johnson, G.M.' 'Webster, M.' 'Genge, A.J.' _publ_section_title ; The synthesis and characterisation of JBW-type zeolites. Part B: Sodium/rubidium aluminogermanate, Na2 Rb (Al3 Ge3 O12) * (H2 O) ; _journal_name_full 'Microporous and Mesoporous Materials' _journal_page_first 165 _journal_page_last 174 _journal_volume 37 _journal_year 2000 _chemical_formula_sum 'Al3 Ge3 H2 Na2 O13 Rb' _chemical_name_systematic 'Na2 Rb (Al3 Ge3 O12) (H2 O)' _space_group_IT_number 31 _symmetry_space_group_name_Hall 'P 2ac -2' _symmetry_space_group_name_H-M 'P m n 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 15.6241 _cell_length_b 8.2586 _cell_length_c 5.2442 _cell_volume 676.676 _citation_journal_id_ASTM MIMMFJ _cod_data_source_file Healey_MIMMFJ_2000_238.cif _cod_data_source_block H2Al3Ge3Na2O13Rb1 _cod_original_cell_volume 676.6759 _cod_original_formula_sum 'H2 Al3 Ge3 Na2 O13 Rb1' _cod_database_code 1526301 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 -x,y,z x+1/2,-y,z+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 O6 O-2 0.41138 0.7852 0.06384 1 0.0 Ge1 Ge+4 0.35658 0.61156 0.97164 1 0.0 Ge2 Ge+4 0.5 0.10852 0.47026 1 0.0 O5 O-2 0.38795 0.55384 0.66467 1 0.0 O1 O-2 0.5 0.92946 0.63686 1 0.0 Na2 Na+1 0.5 0.3289 0.93041 1 0.0 O8 O-2 0.25256 0.06468 0.89186 0.5 0.0 O3 O-2 0.25024 0.65447 0.00447 1 0.0 O2 O-2 0.41173 0.22099 0.56398 1 0.0 Na1 Na+1 0.5 0.67512 0.43174 1 0.0 Al1 Al+3 0.14401 0.60646 0.9709 1 0.0 O7 O-2 0.5 0.07604 0.14031 1 0.0 Rb1 Rb+1 0.25256 0.06468 0.89186 0.5 0.0 Al2 Al+3 0.5 0.89613 0.96238 1 0.0 O4 O-2 0.38938 0.45371 0.164 1 0.0