#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:12:25 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146701 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525673.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_1525673 loop_ _publ_author_name 'Berastegui, P.' 'Hull, S.' 'Eriksson, S.G.' _publ_section_title ; A low-temperature structural phase transition in Cs Pb F3 ; _journal_name_full 'Journal of Physics: Condensed Matter' _journal_page_first 5077 _journal_page_last 5088 _journal_volume 13 _journal_year 2001 _chemical_formula_sum 'Cs F3 Pb' _chemical_name_systematic 'Cs (Pb F3)' _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 4.7748 _cell_length_b 4.7748 _cell_length_c 4.7748 _cell_volume 108.859 _citation_journal_id_ASTM JCOMEL _cod_data_source_file Berastegui_JCOMEL_2001_1355.cif _cod_data_source_block Cs1F3Pb1 _cod_original_cell_volume 108.8593 _cod_chemical_formula_sum_orig 'Cs1 F3 Pb1' _cod_database_code 1525673 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 Cs1 Cs+1 0.5 0.5 0.5 1 0.0 F1 F-1 0.5 0 0 1 0.0 Pb1 Pb+2 0 0 0 1 0.0