#------------------------------------------------------------------------------ #$Date: 2012-06-22 22:39:36 +0300 (Fri, 22 Jun 2012) $ #$Revision: 61129 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/50/77/1507757.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_1507757 loop_ _publ_author_name Natheer, 'B., Mahmood' Emad, 'K., Al-Shakarchi' _publ_section_title ; Three Techniques Used to Produce BaTiO3 Fine Powder ; _journal_name_full ; Journal of Modern Physics ; _journal_page_first 1420 _journal_page_last 1420 _journal_volume 2 _journal_year 11 _chemical_formula_analytical BaTiO3 _chemical_formula_structural BaTiO3 _chemical_formula_sum 'Ba O3 Ti' _chemical_formula_weight 233.205 _chemical_name_mineral ; BT ; _space_group_IT_number 221 _symmetry_Int_Tables_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _audit_creation_date 2012-06-22 _audit_creation_method 'AL-Nahrain university' _audit_update_record 2012-06-22 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_formula_units_Z 1 _cell_length_a 4.0073 _cell_length_b 4.0073 _cell_length_c 4.0073 _cell_volume 64.351 _[local]_cod_data_source_file BTCubic.cif _[local]_cod_data_source_block BT _[local]_cod_cif_authors_sg_Hall -P_4_2_3 _[local]_cod_chemical_formula_sum_orig 'Ba Ti O3' _cod_original_cell_volume 64.4 _cod_database_code 1507757 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -y,x,z 3 -x,-y,z 4 y,-x,z 5 x,-z,y 6 x,-y,-z 7 x,z,-y 8 z,y,-x 9 -x,y,-z 10 -z,y,x 11 z,x,y 12 y,z,x 13 -y,-z,x 14 z,-x,-y 15 -y,z,-x 16 -z,-x,y 17 -z,x,-y 18 y,-z,-x 19 y,x,-z 20 -y,-x,-z 21 -x,z,y 22 -x,-z,-y 23 z,-y,x 24 -z,-y,-x 25 -x,-y,-z 26 y,-x,-z 27 x,y,-z 28 -y,x,-z 29 -x,z,-y 30 -x,y,z 31 -x,-z,y 32 -z,-y,x 33 x,-y,z 34 z,-y,-x 35 -z,-x,-y 36 -y,-z,-x 37 y,z,-x 38 -z,x,y 39 y,-z,x 40 z,x,-y 41 z,-x,y 42 -y,z,x 43 -y,-x,z 44 y,x,z 45 x,-z,-y 46 x,z,y 47 -z,y,-x 48 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_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_calc_flag Ba Ba 0.5000 0.5000 0.5000 1.000 1 b d ti Ti 0.0000 0.0000 0.0000 1.000 1 a d o O 0.5000 0.0000 0.0000 1.000 3 d d loop_ _atom_type_symbol _atom_type_radius_bond Ba 1.200 Ti 1.200 O 1.200