#------------------------------------------------------------------------------ #$Date: 2015-09-28 16:07:24 +0300 (Mon, 28 Sep 2015) $ #$Revision: 158630 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/26/1532675.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_1532675 loop_ _publ_author_name 'Bombik, A.' 'Pacyna, A.W.' 'Lesniewska, B.' 'Mayer, J.' _publ_section_title ; Crystal structure of solid solutions RE Fe1-x (Al or Ga)x O3 (RE = Tb, Er, Tm) and the correlation between superexchange interaction Fe(+3) - O(-2) - Fe(+3) linkage angles and Neel temperature ; _journal_name_full 'Journal of Magnetism and Magnetic Materials' _journal_page_first 206 _journal_page_last 219 _journal_volume 257 _journal_year 2003 _chemical_formula_sum 'Fe0.85 Ga0.15 O3 Tm' _chemical_name_systematic 'Tm ((Fe0.85 Ga0.15) 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 5.24714 _cell_length_b 5.5676 _cell_length_c 7.57549 _cell_volume 221.310 _citation_journal_id_ASTM JMMMDC _cod_data_source_file Bombik_JMMMDC_2003_825.cif _cod_data_source_block Fe0.85Ga0.15O3Tm1 _cod_cif_authors_sg_Hall '-P 2ac 2n (z,x,y)' _cod_original_cell_volume 221.3102 _cod_chemical_formula_sum_orig 'Fe0.85 Ga0.15 O3 Tm1' _cod_database_code 1532675 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 Tm1 Tm+3 -0.0169 0.06871 0.25 1 0.0 O1 O-2 0.1217 0.4561 0.25 1 0.0 Ga1 Ga+3 0.5 0 0 0.15 0.0 O2 O-2 0.2959 0.2596 0.0609 1 0.0 Fe1 Fe+3 0.5 0 0 0.85 0.0