data_9011079
_publ_section_title
;An experimental (120K) and theoretical electron-density study of KMnO4 and
 KClO4 Locality: synthetic Note: potassium perchlorate T = 120 K
;
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              494
_journal_page_last               501
_journal_volume                  60
_journal_year                    2004
_chemical_formula_structural     KClO4
_chemical_formula_sum            'Cl K O4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.7684
_cell_length_b                   5.6237
_cell_length_c                   7.2039
_cell_volume                     355.230
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    2.591
_[local]_cod_chemical_formula_sum_orig 'K Cl O4'
_cod_database_code               9011079
loop_
_symmetry_equiv_pos_as_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_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
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
