#------------------------------------------------------------------------------ #$Date: 2015-10-14 17:47:46 +0300 (Wed, 14 Oct 2015) $ #$Revision: 168707 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/97/1539712.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_1539712 loop_ _publ_author_name 'Fernandez, F.' 'Saez-Puche, R.' 'Cascales, C.' 'Marcano, C.M.' 'Rasines, I.' _publ_section_title ; X-Ray diffraction data and magnetic properties of the oxides R3 Sb5 O12 ; _journal_name_full 'Journal of Physics and Chemistry of Solids' _journal_page_first 871 _journal_page_last 875 _journal_volume 50 _journal_year 1989 _chemical_formula_sum 'O12 Sb5 Yb3' _chemical_name_systematic 'Yb3 Sb5 O12' _space_group_IT_number 217 _symmetry_space_group_name_Hall 'I -4 2 3' _symmetry_space_group_name_H-M 'I -4 3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.0356 _cell_length_b 11.0356 _cell_length_c 11.0356 _cell_volume 1343.965 _citation_journal_id_ASTM JPCSAW _cod_data_source_file Fernandez_JPCSAW_1989_1867.cif _cod_data_source_block O12Sb5Yb3 _cod_database_code 1539712 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,-x,-z -x,-y,z -y,x,-z x,-y,-z -y,-x,z -x,y,-z y,x,z z,x,y x,-z,-y -z,-x,y -x,z,-y z,-x,-y -x,-z,y -z,x,-y x,z,y y,z,x y,-z,-x -z,-y,x -y,z,-x z,y,x -y,-z,x -z,y,-x z,-y,-x x+1/2,y+1/2,z+1/2 y+1/2,-x+1/2,-z+1/2 -x+1/2,-y+1/2,z+1/2 -y+1/2,x+1/2,-z+1/2 x+1/2,-y+1/2,-z+1/2 -y+1/2,-x+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 y+1/2,x+1/2,z+1/2 z+1/2,x+1/2,y+1/2 x+1/2,-z+1/2,-y+1/2 -z+1/2,-x+1/2,y+1/2 -x+1/2,z+1/2,-y+1/2 z+1/2,-x+1/2,-y+1/2 -x+1/2,-z+1/2,y+1/2 -z+1/2,x+1/2,-y+1/2 x+1/2,z+1/2,y+1/2 y+1/2,z+1/2,x+1/2 y+1/2,-z+1/2,-x+1/2 -z+1/2,-y+1/2,x+1/2 -y+1/2,z+1/2,-x+1/2 z+1/2,y+1/2,x+1/2 -y+1/2,-z+1/2,x+1/2 -z+1/2,y+1/2,-x+1/2 z+1/2,-y+1/2,-x+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 0.112 0.397 0.397 1 0.0 O2 O-2 0.14 0.14 0.347 1 0.0 Yb1 Yb+3 0.25 0.5 0 1 0.0 Sb2 Sb+3 0.254 0.254 0.254 1 0.0 Sb1 Sb+3 0 0 0.28 1 0.0