#------------------------------------------------------------------------------
#$Date: 2017-12-10 02:59:07 +0100 (dom 10 de dic de 2017) $
#$Revision: 204126 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/02/1010217.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_1010217
loop_
_publ_author_name
'Zachariasen, W. H.'
_publ_section_title              'The Crystal Structure of Potassium Chlorate'
_journal_coden_ASTM              ZKKKAJ
_journal_name_full
;
 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              501
_journal_page_last               516
_journal_paper_doi               10.1524/zkri.1929.71.1.501
_journal_volume                  71
_journal_year                    1929
_chemical_formula_structural     'K Cl O3'
_chemical_formula_sum            'Cl K O3'
_chemical_name_systematic        'Potassium chlorate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb (x,y+1/4,z)'
_space_group_name_H-M_alt        'P 1 21/m 1 (a,b-1/4,c)'
_cell_angle_alpha                90
_cell_angle_beta                 109.63(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.647(4)
_cell_length_b                   5.585(5)
_cell_length_c                   7.085(7)
_cell_volume                     173.2
_cod_depositor_comments
;
 Adding _space_group_symop_id data item values that were accidentally left
 out in the previous revision.

 Antanas Vaitkus,
 2017-12-10

 Correcting space group operations after consulting the original publication.

 Antanas Vaitkus,
 2017-10-12
;
_cod_database_code               1010217
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,1/2+y,-z
3 -x,1/2-y,-z
4 x,-y,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
K1 K1+ 2 e 0.366 0. -0.298 1. 0 d
Cl1 Cl5+ 2 e 0.106 0. 0.175 1. 0 d
O1 O2- 2 e 0.405 0. 0.111 1. 0 d
O2 O2- 4 f 0.139 0.222 0.278 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
K1+ 1.000
Cl5+ 5.000
O2- -2.000
