#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528416.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_1528416
loop_
_publ_author_name
'Clastre, J.'
_publ_section_title
;
 Structure cristalline de la potasse monohydratee
;
_journal_name_full               'Cahiers de Physique'
_journal_page_first              24
_journal_page_last               25
_journal_volume                  74
_journal_year                    1956
_chemical_formula_sum            'H3 K O2'
_chemical_name_systematic        'K O H H2 O'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8
_cell_length_b                   5.83
_cell_length_c                   7.88
_cell_volume                     250.654
_citation_journal_id_ASTM        CAPHAI
_cod_data_source_file            Clastre_CAPHAI_1956_311.cif
_cod_data_source_block           H3K1O2
_cod_original_cell_volume        250.6545
_cod_original_formula_sum        'H3 K1 O2'
_cod_database_code               1528416
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O2 O-2 0.943 0.135 0.2357 1 0.0
O1 O-2 0.34 0.727 0.085 1 0.0
K1 K+1 0.298 0.25 0.0745 1 0.0
