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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531970.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_1531970
loop_
_publ_author_name
'Pistorius, C.W.F.T.'
_publ_section_title
;
 Lattice constants of the high-pressure phase K Cl O3 (II)
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6263
_journal_page_last               6264
_journal_volume                  56
_journal_year                    1972
_chemical_formula_sum            'Cl K O3'
_chemical_name_systematic        'K Cl O3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                85.2
_cell_angle_beta                 85.2
_cell_angle_gamma                85.2
_cell_formula_units_Z            1
_cell_length_a                   4.273
_cell_length_b                   4.273
_cell_length_c                   4.273
_cell_volume                     77.241
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Pistorius_JCPSA6_1972_271.cif
_cod_data_source_block           Cl1K1O3
_cod_original_cell_volume        77.24109
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Cl1 K1 O3'
_cod_database_code               1531970
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.625 0.625 0.125 1 0.0
Cl1 Cl+5 0.5 0.5 0.5 1 0.0
K1 K+1 0 0 0 1 0.0
