#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525697.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_1525697 loop_ _publ_author_name 'Bontchev, R.P.' 'Jacobson, A.J.' 'Popov, V.N.' 'Gospodinov, M.M.' 'Skumryev, V.' 'Lorenz, B.' 'Iliev, M.N.' 'Litvinchuk, A.P.' 'Meng, R.L.' _publ_section_title ; Crystal structure, electric and magnetic properties, and Raman spectroscopy of Gd3 Ru O7 ; _journal_name_full 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)' _journal_page_first 12235 _journal_page_last 12240 _journal_volume 62 _journal_year 2000 _chemical_formula_sum 'Gd3 O7 Ru' _chemical_name_systematic 'Gd3 Ru O7' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.643 _cell_length_b 7.345 _cell_length_c 7.38 _cell_volume 576.916 _citation_journal_id_ASTM PRBMDO _cod_data_source_file Bontchev_PRBMDO_2000_477.cif _cod_data_source_block Gd3O7Ru1 _cod_original_cell_volume 576.9155 _cod_original_formula_sum 'Gd3 O7 Ru1' _cod_database_code 1525697 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,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 Ru1 Ru+5 0 0.5 0 1 0.0 O3 O-2 0 0.4149 0.25 1 0.0 Gd1 Gd+3 0 0 0 1 0.0 Gd2 Gd+3 0.2241 0.3024 0.25 1 0.0 O1 O-2 0.1282 0.3169 -0.041 1 0.0 O2 O-2 0.1335 0.0271 0.25 1 0.0