#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010611.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_1010611
loop_
_publ_author_name
'Gottfried, C'
'Schusterius, C'
_publ_section_title
;
Die Struktur von Kalium- und Ammoniumperchlorat
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              65
_journal_page_last               73
_journal_volume                  84
_journal_year                    1932
_chemical_formula_structural     'K Cl O4'
_chemical_formula_sum            'Cl K O4'
_chemical_name_systematic        'Potassium chlorate(VII)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   8.834
_cell_length_b                   5.65
_cell_length_c                   7.24
_cell_volume                     361.4
_cod_database_code               1010611
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,y,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
O1 O2- 4 c 0.175 0.25 0.05 1. 0 d
O2 O2- 4 c 0.078 0.25 0.106 1. 0 d
O3 O2- 8 d 0.083 0.042 0.181 1. 0 d
Cl1 Cl7+ 4 c 0.075 0.25 0.189 1. 0 d
K1 K1+ 4 c 0.192 0.25 0.167 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Cl7+ 7.000
K1+ 1.000
