#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:51:53 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168722 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539719.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_1539719 loop_ _publ_author_name 'Bernet, K.' 'Hoppe, R.' _publ_section_title ; Ein Oxostannate neuen Strukturtyps: Cs4 (Sn O4) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 145 _journal_page_last 156 _journal_volume 587 _journal_year 1990 _chemical_formula_sum 'Cs4 O4 Sn' _chemical_name_systematic 'Cs4 (Sn O4)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 111.79 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.808 _cell_length_b 7.282 _cell_length_c 11.667 _cell_volume 931.519 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Bernet_ZAACAB_1990_1220.cif _cod_data_source_block Cs4O4Sn1 _cod_original_cell_volume 931.5192 _cod_chemical_formula_sum_orig 'Cs4 O4 Sn1' _cod_database_code 1539719 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,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 Cs2 Cs+1 0.8449 0.1165 0.4173 1 0.0 O2 O-2 0.3062 0.5302 0.6384 1 0.0 Cs3 Cs+1 0.0633 0.0892 0.2042 1 0.0 O1 O-2 0.2158 0.9882 0.8396 1 0.0 Sn1 Sn+4 0.7584 0.8754 0.0083 1 0.0 O4 O-2 0.9139 0.7329 0.5251 1 0.0 Cs4 Cs+1 0.631 0.1618 0.6072 1 0.0 O3 O-2 0.6376 0.8201 0.4892 1 0.0 Cs1 Cs+1 0.4257 0.1715 0.7925 1 0.0