#------------------------------------------------------------------------------ #$Date: 2016-02-16 20:30:59 +0000 (Tue, 16 Feb 2016) $ #$Revision: 176467 $ #$URL: svn://www.crystallography.net/cod/cif/4/00/07/4000724.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_4000724 loop_ _publ_author_name 'Wang, Jin' 'Schenk, Kurt' 'Carvalho, Alexandra' 'Eerd, Ben Wylie-van' 'Trodahl, Joe' 'Sandu, Cosmin S.' 'Bonin, Michel' 'Gregora, Ivan' 'He, Zhanbing' 'Yamada, Tomoaki' 'Funakubo, Hiroshi' 'Briddon, Patrick R.' 'Setter, Nava' _publ_section_title ; Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate ; _journal_issue 10 _journal_name_full 'Chemistry of Materials' _journal_page_first 2529 _journal_paper_doi 10.1021/cm1030206 _journal_volume 23 _journal_year 2011 _chemical_formula_moiety 'O3 Pb1 Ti1' _chemical_formula_sum 'O3 Pb Ti' _chemical_formula_weight 303.1 _chemical_name_common 'PX phase of lead titanate' _chemical_name_systematic ' ?' _space_group_IT_number 87 _symmetry_cell_setting tetragonal _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 12.3853(1) _cell_length_b 12.3853(1) _cell_length_c 3.82000(4) _cell_measurement_temperature 293 _cell_volume 585.971(9) _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _diffrn_ambient_temperature 293 _diffrn_detector 'Six Si(111) analyser crystals' _diffrn_detector_type 'scintillation counter' _diffrn_measurement_device 'powder diffractometer' _diffrn_measurement_device_type synchrotron _diffrn_radiation_monochromator 'channel-cut Si(111) crystal' _diffrn_radiation_type synchrotron _diffrn_radiation_wavelength 0.49835776 _diffrn_source synchrotron _diffrn_source_type synchrotron _exptl_absorpt_coefficient_mu 23.799 _exptl_absorpt_correction_type cylinder _exptl_absorpt_process_details 'Jana2006 (V. Pet\