#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/08/1530885.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_1530885
loop_
_publ_author_name
'Tomkowicz, Z.'
'Szytula, A.'
_publ_section_title
;
 Crystal and magnetic structure of K Fe O2
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1117
_journal_page_last               1123
_journal_volume                  38
_journal_year                    1977
_chemical_formula_sum            'Fe K O2'
_chemical_name_systematic        'K Fe O2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   5.577
_cell_length_b                   11.227
_cell_length_c                   15.89
_cell_volume                     994.920
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Tomkowicz_JPCSAW_1977_268.cif
_cod_data_source_block           Fe1K1O2
_cod_original_cell_volume        994.9203
_cod_original_formula_sum        'Fe1 K1 O2'
_cod_database_code               1530885
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,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 0.157 0.416 0.096 1 0.0
K1 K+1 0.758 0.008 0.072 1 0.0
K2 K+1 0.816 0.262 0.18 1 0.0
O3 O-2 0.282 0.169 0.161 1 0.0
Fe2 Fe+3 0.285 0.263 0.065 1 0.0
O1 O-2 0.591 0.289 0.017 1 0.0
O4 O-2 0.068 0.481 0.284 1 0.0
Fe1 Fe+3 0.243 0.006 0.183 1 0.0
