#------------------------------------------------------------------------------ #$Date: 2018-06-10 15:56:51 +0300 (Sun, 10 Jun 2018) $ #$Revision: 208256 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534869.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_1534869 loop_ _publ_author_name 'Shuvaeva, V.A.' 'Antipin, M.Yu.' 'Fesenko, O.E.' 'Smotrakov, V.G.' 'Struchkov, Yu.T.' _publ_section_title ; X-ray diffraction study of Pb Zr O3 ferroelectric phase, induced by strong electric field. ; _journal_name_full Kristallografiya _journal_page_first 1033 _journal_page_last 1035 _journal_volume 37 _journal_year 1992 _chemical_formula_sum 'O3 Pb Zr' _chemical_name_systematic 'Pb (Zr O3)' _space_group_crystal_system orthorhombic _space_group_IT_number 38 _space_group_name_Hall 'C -2 -2' _space_group_name_H-M_alt 'C m 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.89 _cell_length_b 5.897 _cell_length_c 4.134 _cell_volume 143.588 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Shuvaeva_KRISAJ_1992_1288.cif _cod_data_source_block O3Pb1Zr1 _cod_depositor_comments ; Updating space group information. Antanas Vaitkus, 2018-06-11 ; _cod_original_cell_volume 143.5876 _cod_original_formula_sum 'O3 Pb1 Zr1' _cod_database_code 1534869 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,y,-z 3 x,y,-z 4 -x,y,z 5 x+1/2,y+1/2,z 6 -x+1/2,y+1/2,-z 7 x+1/2,y+1/2,-z 8 -x+1/2,y+1/2,z 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 Pb1 Pb+2 0 0 0 1 0.0 O2 O-2 0.26 0.222 0.5 1 0.0 O1 O-2 0 0.48 0 1 0.0 Zr1 Zr+4 0 0.469 0.5 1 0.0