#------------------------------------------------------------------------------ #$Date: 2015-07-11 23:05:18 +0300 (Sat, 11 Jul 2015) $ #$Revision: 146080 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/51/1525170.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_1525170 loop_ _publ_author_name 'Rossell, H.J.' _publ_section_title ; Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 115 _journal_page_last 122 _journal_volume 27 _journal_year 1979 _chemical_formula_sum 'Gd O7 Sb Y2' _chemical_name_systematic 'Y2 Gd Sb O7' _space_group_IT_number 20 _symmetry_space_group_name_Hall 'C 2c 2' _symmetry_space_group_name_H-M 'C 2 2 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 10.5172 _cell_length_b 7.4527 _cell_length_c 7.4806 _cell_volume 586.341 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Rossell_JSSCBI_1979_408.cif _cod_data_source_block Gd1O7Sb1Y2 _cod_original_cell_volume 586.3409 _cod_chemical_formula_sum_orig 'Gd1 O7 Sb1 Y2' _cod_database_code 1525170 loop_ _symmetry_equiv_pos_as_xyz 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 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 0.129 0.205 0.285 1 0.0 O4 O-2 0.141 0.5 0.5 1 0.0 Gd1 Gd+3 0 0.487 0.25 0.626 0.0 Y1 Y+3 0 0.487 0.25 0.374 0.0 Gd2 Gd+3 0.2331 0.2343 0.009 0.187 0.0 Sb1 Sb+5 0 0 0.25 1 0.0 O5 O-2 0.062 0 0 1 0.0 O2 O-2 0.132 0.8 0.299 1 0.0 O3 O-2 0.137 0.5 0 1 0.0 Y2 Y+3 0.2331 0.2343 0.009 0.813 0.0