#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532758.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_1532758 loop_ _publ_author_name 'Winkler, B.' 'Hytha, M.' 'Milman, V.' _publ_section_title ; The low-temperature structure of Li S H ; _journal_name_full 'Phase Transition' _journal_page_first 187 _journal_page_last 195 _journal_volume 76 _journal_year 2003 _chemical_formula_sum 'H Li S' _chemical_name_systematic 'Li S H' _space_group_IT_number 40 _symmetry_space_group_name_Hall 'A 2 -2a' _symmetry_space_group_name_H-M 'A m a 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.15687 _cell_length_b 5.61841 _cell_length_c 5.51478 _cell_volume 190.766 _citation_journal_id_ASTM PHTRDP _cod_data_source_file Winkler_PHTRDP_2003_579.cif _cod_data_source_block H1Li1S1 _cod_original_cell_volume 190.7663 _cod_original_formula_sum 'H1 Li1 S1' _cod_database_code 1532758 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z -x+1/2,y,z x+1/2,-y,z x,y+1/2,z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 x+1/2,-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 Li1 Li+1 0.5 0.5 0.00166 1 0.0 S1 S-2 0.75 0.76171 0.23705 1 0.0 H1 H+1 0.25 0.5748 0.55829 1 0.0