#------------------------------------------------------------------------------ #$Date: 2015-07-10 13:42:34 +0300 (Fri, 10 Jul 2015) $ #$Revision: 141883 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/16/1521670.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_1521670 loop_ _publ_author_name 'Nespolo, M.' 'Sato, A.' 'Osawa, T.' 'Ohashi, H.' _publ_section_title ; Synthesis, crystal structure and charge distribution of In Ga Zn O4. X-ray diffraction of 20 kb single crystal and 50 kb twin by reticular merohedry ; _journal_name_full 'Crystal Research and Technology' _journal_page_first 151 _journal_page_last 165 _journal_volume 35 _journal_year 2000 _chemical_formula_sum 'Ga In O4 Zn' _chemical_name_systematic 'In Ga Zn O4' _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 3.299 _cell_length_b 3.299 _cell_length_c 26.101 _cell_volume 246.010 _citation_journal_id_ASTM CRTEDF _cod_data_source_file Nespolo_CRTEDF_2000_1067.cif _cod_data_source_block Ga1In1O4Zn1 _cod_original_cell_volume 246.0098 _cod_chemical_formula_sum_orig 'Ga1 In1 O4 Zn1' _cod_database_code 1521670 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -x,-y,-z y,-x+y,-z x-y,x,-z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 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 O1 O-2 0 0 0.1282 1 0.0 Zn1 Zn+2 0 0 0.2171 0.5 0.0 O2 O-2 0 0 0.2928 1 0.0 Ga1 Ga+3 0 0 0.2171 0.5 0.0 In1 In+3 0 0 0 1 0.0