#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509030.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_1509030 loop_ _publ_author_name 'Olekseyuk, I.D.' 'Krykhovets, O.V.' 'Gulay, L.D.' _publ_section_title ; Crystal structure of the Ag0.735 In Ge Se4 compound ; _journal_name_full 'Journal of Alloys Compd.' _journal_page_first 182 _journal_page_last 185 _journal_paper_doi 10.1016/S0925-8388(01)01945-4 _journal_volume 337 _journal_year 2002 _chemical_formula_sum 'Ag0.735 Ge In Se4' _chemical_name_systematic 'Silver indium germanium selenide (0.74/1/1/4)' _space_group_IT_number 112 _symmetry_space_group_name_Hall 'P -4 2c' _symmetry_space_group_name_H-M 'P -4 2 c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.7676 _cell_length_b 5.7676 _cell_length_c 10.8272 _cell_volume 360.169 _citation_journal_id_ASTM JALCEU _cod_data_source_file silver0-1_157.cif _cod_data_source_block Ag0.735Ge1In1Se4 _cod_original_cell_volume 360.1691 _cod_original_formula_sum 'Ag0.735 Ge1 In1 Se4' _cod_database_code 1509030 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z+1/2 -y,-x,z+1/2 -x,y,-z+1/2 y,x,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 Ag1 Ag+1 0.5 0.5 0 0.735 Ge1 Ge+4 0 0 0 1 Se1 Se-2 0.2161 0.2823 0.1346 1 In1 In+3 0.5 0 0.25 1