#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:57:17 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149260 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/04/2310420.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_2310420 loop_ _publ_author_name 'Jost, K.H.' 'Hilmer, W.' _publ_section_title ; Die Struktur von Na2 H2 Si O4 (H2 O)4 ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 583 _journal_page_last 589 _journal_volume 21 _journal_year 1966 _chemical_formula_sum 'H10 Na2 O8 Si' _chemical_name_systematic 'Na2 (H2 Si O4) (H2 O)4' _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 70.1 _cell_angle_beta 104.3 _cell_angle_gamma 122.5 _cell_formula_units_Z 2 _cell_length_a 7.96 _cell_length_b 9.61 _cell_length_c 6.67 _cell_volume 403.300 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Jost_ACCRA9_1966_1076.cif _cod_data_source_block H10Na2O8Si1 _cod_original_cell_volume 403.3002 _cod_chemical_formula_sum_orig 'H10 Na2 O8 Si1' _cod_database_code 2310420 loop_ _symmetry_equiv_pos_as_xyz x,y,z -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 O5 O-2 0.7904 0.3889 0.3309 1 0.0 O3 O-2 0.1275 0.1512 0.7595 1 0.0 O7 O-2 0.3523 0.0789 0.5841 1 0.0 Na2 Na+1 0.6508 0.3386 0.6309 1 0.0 O8 O-2 0.7899 0.196 0.9229 1 0.0 O1 O-2 0.2623 0.0793 0.1694 1 0.0 Na1 Na+1 0.6091 0.1511 0.1862 1 0.0 O4 O-2 0.4935 0.3447 0.8858 1 0.0 O6 O-2 0.1327 0.3729 0.366 1 0.0 O2 O-2 0.209 0.3565 0.011 1 0.0 Si1 Si+4 0.2689 0.2336 0.9697 1 0.0