#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/55/1525559.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_1525559 loop_ _publ_author_name 'Aleksiyko, R.' 'Berkowski, M.' 'Vasylechko, L.O.' 'Byszewski, P.' 'Dabrowski, B.' 'Diduszko, R.' 'Fink-Finowicki, J.' _publ_section_title ; Common features of gallium perovskites ; _journal_name_full 'Crystal Research and Technology' _journal_page_first 789 _journal_page_last 800 _journal_volume 36 _journal_year 2001 _chemical_formula_sum 'Ga La0.39 O3 Pr0.61' _chemical_name_systematic '(La0.39 Pr0.61) (Ga O3)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.4794 _cell_length_b 5.4866 _cell_length_c 7.7441 _cell_volume 232.813 _citation_journal_id_ASTM CRTEDF _cod_data_source_file Aleksiyko_CRTEDF_2001_980.cif _cod_data_source_block Ga1La0.39O3Pr0.61 _cod_original_sg_symbol_Hall '-P 2ac 2n (z,x,y)' _cod_original_formula_sum 'Ga1 La0.39 O3 Pr0.61' _cod_database_code 1525559 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x,-y,z+1/2 -x,-y,-z -x-1/2,y-1/2,z x-1/2,-y-1/2,z-1/2 x,y,-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 O2 O-2 0.7173 0.2821 0.0392 1 0.0 O1 O-2 0.0729 0.4874 0.25 1 0.0 Pr1 Pr+3 -0.0074 0.0288 0.25 0.61 0.0 La1 La+3 -0.0074 0.0288 0.25 0.39 0.0 Ga1 Ga+3 0.5 0 0 1 0.0