#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/10/10/1101082.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_1101082 _publ_section_title ; LaB6 powder 1x1 slits ; _chemical_formula_sum 'Hf0.4 O3 Pb Ti0.6' _chemical_name_common 'Lead titanium oxide' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'P 4 m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 3.9483006 _cell_length_b 3.9483006 _cell_length_c 3.9128053 _cod_database_code 1101082 loop_ _atom_site_label _atom_site_type_symbol _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv Pb1 Pb2+ 0.76 0. 0. 0. 0.2 Ca1 Ca2+ 0.24 0 0 0 0.3 Ti1 Ti4+ 1 0.5 0.5 0.499 0.3 O1 O2- 1. 0.5 0.5 0.095 0.5 O2 O2- 1. 0.5 0. 0.615 0.5