#------------------------------------------------------------------------------ #$Date: 2015-10-10 00:44:28 +0300 (Sat, 10 Oct 2015) $ #$Revision: 163472 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/59/1535957.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_1535957 loop_ _publ_author_name 'Nesper, R.' 'von Schnering, H.G.' _publ_section_title ; Barium-Oxohydroxostannat(II) Ba (Sn O (O H)2) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 109 _journal_page_last 116 _journal_volume 499 _journal_year 1983 _chemical_formula_sum 'Ba H2 O4 Sn2' _chemical_name_systematic 'Ba Sn2 O2 (O H)2' _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90 _cell_angle_beta 107.62 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 7.594 _cell_length_b 5.762 _cell_length_c 7.174 _cell_volume 299.183 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Nesper_ZAACAB_1983_201.cif _cod_data_source_block H2Ba1O4Sn2 _cod_chemical_formula_sum_orig 'H2 Ba1 O4 Sn2' _cod_database_code 1535957 loop_ _symmetry_equiv_pos_as_xyz x,y,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 0.279 0.753 0.836 1 0.0 Sn2 Sn+2 0.899 0.005 0.0883 1 0.0 Sn1 Sn+2 0.1521 0.004 0.6499 1 0.0 O1 O-2 0.726 0.752 0.135 1 0.0 Ba1 Ba+2 0.4336 0 0.1897 1 0.0 O4 O-2 0.715 0.004 0.796 1 0.0 O3 O-2 0.37 0.022 0.533 1 0.0 H2 H+1 0.8 0 0.707 1 0.0 H1 H+1 0.44 0 0.633 1 0.0