#------------------------------------------------------------------------------ #$Date: 2015-09-28 14:32:14 +0100 (Mon, 28 Sep 2015) $ #$Revision: 158729 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532751.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_1532751 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 (H S)' _space_group_IT_number 135 _symmetry_space_group_name_Hall '-P 4c 2ab' _symmetry_space_group_name_H-M 'P 42/m b c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 7.829 _cell_length_b 7.829 _cell_length_c 6.143 _cell_volume 376.524 _citation_journal_id_ASTM PHTRDP _cod_data_source_file Winkler_PHTRDP_2003_577.cif _cod_data_source_block H1Li1S1 _cod_original_cell_volume 376.5244 _cod_chemical_formula_sum_orig 'H1 Li1 S1' _cod_database_code 1532751 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z+1/2 -x,-y,z y,-x,z+1/2 x+1/2,-y+1/2,-z y+1/2,x+1/2,-z+1/2 -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z+1/2 -x,-y,-z y,-x,-z-1/2 x,y,-z -y,x,-z-1/2 -x-1/2,y-1/2,z -y-1/2,-x-1/2,z-1/2 x-1/2,-y-1/2,z y-1/2,x-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 S1 S-2 0.25033 0.51554 0.5 1 0.0 Li2 Li+1 0 0 0.25 1 0.0 H1 H+1 0.3134 0.24887 0 1 0.0 Li1 Li+1 0 0.5 0.25 1 0.0