#------------------------------------------------------------------------------ #$Date: 2015-07-13 21:08:47 +0300 (Mon, 13 Jul 2015) $ #$Revision: 150665 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106498.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2106498 loop_ _publ_author_name 'Diehl, R.' 'Carpentier, C.D.' _publ_section_title ; The structural chemistry of indium phosphorous chalkogenides ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1097 _journal_page_last 1105 _journal_volume 34 _journal_year 1978 _chemical_formula_sum 'In P S4' _chemical_name_systematic 'In P S4' _space_group_IT_number 82 _symmetry_space_group_name_Hall 'I -4' _symmetry_space_group_name_H-M 'I -4' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.623 _cell_length_b 5.623 _cell_length_c 9.058 _cell_volume 286.397 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Diehl_ACBCAR_1978_400.cif _cod_data_source_block In1P1S4 _cod_chemical_formula_sum_orig 'In1 P1 S4' _cod_database_code 2106498 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z 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 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 0.3057 0.2389 0.1302 1 0.0 In1 In+3 0 0 0 1 0.0 P1 P+5 0 0.5 0.75 1 0.0