#------------------------------------------------------------------------------ #$Date: 2013-04-28 20:31:03 +0300 (Sun, 28 Apr 2013) $ #$Revision: 82151 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/90/1509078.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_1509078 loop_ _publ_author_name 'Park, H.-Y.' 'Kim, H.-G.' 'Kim, W.-T.' 'Kim, J.-E.' 'Kim, C.D.' _publ_section_title ; Optical properties of Zn2 Ag Ga Se4 and Zn2 Ag Ga Se4:Co(2+) crystals ; _journal_name_full 'Solid State Communications' _journal_page_first 793 _journal_page_last 795 _journal_volume 77 _journal_year 1991 _chemical_formula_sum 'Ag0.25 Ga0.25 Se Zn0.5' _chemical_name_systematic 'Silver gallium zinc selenide (0.25/0.25/0.5/1)' _space_group_IT_number 216 _symmetry_space_group_name_Hall 'F -4 2 3' _symmetry_space_group_name_H-M 'F -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.68 _cell_length_b 5.68 _cell_length_c 5.68 _cell_volume 183.250 _citation_journal_id_ASTM SSCOA4 _[local]_cod_data_source_file silver0-1_39.cif _[local]_cod_data_source_block Ag0.25Ga0.25Se1Zn0.5 _[local]_cod_chemical_formula_sum_orig 'Ag0.25 Ga0.25 Se1 Zn0.5' _cod_original_cell_volume 183.2504 _cod_database_code 1509078 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x,y+1/2,z+1/2 y,-x+1/2,-z+1/2 -x,-y+1/2,z+1/2 -y,x+1/2,-z+1/2 x,-y+1/2,-z+1/2 -y,-x+1/2,z+1/2 -x,y+1/2,-z+1/2 y,x+1/2,z+1/2 z,x+1/2,y+1/2 x,-z+1/2,-y+1/2 -z,-x+1/2,y+1/2 -x,z+1/2,-y+1/2 z,-x+1/2,-y+1/2 -x,-z+1/2,y+1/2 -z,x+1/2,-y+1/2 x,z+1/2,y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 -z,-y+1/2,x+1/2 -y,z+1/2,-x+1/2 z,y+1/2,x+1/2 -y,-z+1/2,x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 y+1/2,-x,-z+1/2 -x+1/2,-y,z+1/2 -y+1/2,x,-z+1/2 x+1/2,-y,-z+1/2 -y+1/2,-x,z+1/2 -x+1/2,y,-z+1/2 y+1/2,x,z+1/2 z+1/2,x,y+1/2 x+1/2,-z,-y+1/2 -z+1/2,-x,y+1/2 -x+1/2,z,-y+1/2 z+1/2,-x,-y+1/2 -x+1/2,-z,y+1/2 -z+1/2,x,-y+1/2 x+1/2,z,y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 -z+1/2,-y,x+1/2 -y+1/2,z,-x+1/2 z+1/2,y,x+1/2 -y+1/2,-z,x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z y+1/2,-x+1/2,-z -x+1/2,-y+1/2,z -y+1/2,x+1/2,-z x+1/2,-y+1/2,-z -y+1/2,-x+1/2,z -x+1/2,y+1/2,-z y+1/2,x+1/2,z z+1/2,x+1/2,y x+1/2,-z+1/2,-y -z+1/2,-x+1/2,y -x+1/2,z+1/2,-y z+1/2,-x+1/2,-y -x+1/2,-z+1/2,y -z+1/2,x+1/2,-y x+1/2,z+1/2,y y+1/2,z+1/2,x y+1/2,-z+1/2,-x -z+1/2,-y+1/2,x -y+1/2,z+1/2,-x z+1/2,y+1/2,x -y+1/2,-z+1/2,x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-x 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 0 0 0.25 Zn1 Zn+2 0 0 0 0.5 Ga1 Ga+3 0 0 0 0.25 Se1 Se-2 0.25 0.25 0.25 1