data_global _amcsd_formula_title 'KClO4' loop_ _publ_author_name 'Marabello D' 'Bianchi R' 'Gervasio G' 'Cargnoni F' _journal_name_full 'Acta Crystallographica, Section A' _journal_volume 60 _journal_year 2004 _journal_page_first 494 _journal_page_last 501 _publ_section_title ; An experimental (120K) and theoretical electron-density study of KMnO4 and KClO4 Note: potassium perchlorate T = 120 K ; _database_code_amcsd 0009335 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K Cl O4' _cell_length_a 8.7684 _cell_length_b 5.6237 _cell_length_c 7.2039 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 355.230 _exptl_crystal_density_diffrn 2.591 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z K 0.31965 0.25000 0.66139 Cl 0.43049 0.25000 0.18838 O1 0.30600 0.25000 0.05710 O2 0.57460 0.25000 0.09390 O3 0.41911 0.04060 0.30560 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 K 0.01024 0.01461 0.01239 0.00000 0.00033 0.00000 Cl 0.00852 0.00966 0.00890 0.00000 0.00012 0.00000 O1 0.01270 0.02410 0.02070 0.00000 -0.00820 0.00000 O2 0.01520 0.01800 0.01250 0.00000 -0.00570 0.00000 O3 0.01590 0.01120 0.01440 0.00010 0.00120 -0.00360