#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/88/1528803.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_1528803 loop_ _publ_author_name 'Prewitt, C.T.' 'Young, H.S.' _publ_section_title ; Germanium and silicon disulfides: Structure and synthesis ; _journal_name_full Science _journal_page_first 535 _journal_page_last 537 _journal_volume 149 _journal_year 1965 _chemical_formula_sum 'Ge S2' _chemical_name_systematic 'Ge S2' _space_group_IT_number 122 _symmetry_space_group_name_Hall 'I -4 2bw' _symmetry_space_group_name_H-M 'I -4 2 d' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.48 _cell_length_b 5.48 _cell_length_c 9.143 _cell_volume 274.568 _citation_journal_id_ASTM SCIEAS _cod_data_source_file Prewitt_SCIEAS_1965_386.cif _cod_data_source_block Ge1S2 _cod_original_cell_volume 274.5679 _cod_original_formula_sum 'Ge1 S2' _cod_database_code 1528803 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y+1/2,-z+1/4 -y+1/2,-x,z+3/4 -x,y+1/2,-z+1/4 y+1/2,x,z+3/4 x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 x+1/2,-y+1,-z+3/4 -y+1,-x+1/2,z+5/4 -x+1/2,y+1,-z+3/4 y+1,x+1/2,z+5/4 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 0.2387 0.25 0.125 1 0.0 Ge1 Ge+4 0 0 0 1 0.0