data_global _amcsd_formula_title 'PbCl4' loop_ _publ_author_name 'Maley I J' 'Parsons S' 'Pulham C R' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i79 _journal_page_last i81 _publ_section_title ; Lead(IV) chloride at 150 K Note: sample at T = 150 K ; _database_code_amcsd 0010384 _chemical_formula_sum 'Pb Cl4' _cell_length_a 10.542 _cell_length_b 5.359 _cell_length_c 11.958 _cell_angle_alpha 90 _cell_angle_beta 115.83 _cell_angle_gamma 90 _cell_volume 608.067 _exptl_crystal_density_diffrn 3.812 _symmetry_space_group_name_H-M 'I 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Pb 0.75000 0.25755 0.00000 0.01840 Cl1 0.55870 0.00500 -0.12920 0.02630 Cl2 0.81460 0.50920 -0.12920 0.02750 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb 0.01870 0.01840 0.01590 0.00000 0.00550 0.00000 Cl1 0.02190 0.02800 0.02390 -0.00450 0.00510 -0.00330 Cl2 0.03030 0.02700 0.02580 -0.00150 0.01300 0.00440