#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532759.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_1532759 loop_ _publ_author_name 'Bruno, J.C.' 'Zaghete, M.A.' 'Cavalheiro, A.A.' 'Cilense, M.' 'Varela, J.A.' _publ_section_title ; Structural effects of Li and K additives on the columbite precursor and 0.9PMN - 0.1PT powders ; _journal_name_full 'Materials Chemistry and Physics' _journal_page_first 120 _journal_page_last 125 _journal_volume 84 _journal_year 2004 _chemical_formula_sum 'Mg0.3 Nb0.6 O3 Pb Ti0.1' _chemical_name_systematic 'Pb ((Mg0.3 Nb0.6 Ti0.1) O3)' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.0394 _cell_length_b 4.0394 _cell_length_c 4.0394 _cell_volume 65.910 _citation_journal_id_ASTM MCHPDR _cod_data_source_file Bruno_MCHPDR_2004_1895.cif _cod_data_source_block Mg0.3Nb0.6O3Pb1Ti0.1 _cod_original_cell_volume 65.9099 _cod_original_formula_sum 'Mg0.3 Nb0.6 O3 Pb1 Ti0.1' _cod_database_code 1532759 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,-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 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 Ti1 Ti+4 0.5 0.5 0.5 0.1 0.0 Mg1 Mg+2 0.5 0.5 0.5 0.3 0.0 O1 O-2 0 0.5 0.5 1 0.0 Pb1 Pb+2 0 0.051 0.051 0.0833 0.0 Nb1 Nb+5 0.5 0.5 0.5 0.6 0.0