#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/63/1536335.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_1536335
loop_
_publ_author_name
'Delattre, J.L.'
'Stacy, A.M.'
_publ_section_title
;
 Synthesis and structure of Ba K Fe O3: a new quaternary oxide with 1-D
 ferrate chains
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              261
_journal_page_last               264
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'Ba Fe K O3'
_chemical_name_systematic        'Ba K (Fe O3)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.804
_cell_length_b                   11.528
_cell_length_c                   12.776
_cell_volume                     854.823
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Delattre_JSSCBI_2003_890.cif
_cod_data_source_block           Ba1Fe1K1O3
_cod_original_cell_volume        854.8231
_cod_original_formula_sum        'Ba1 Fe1 K1 O3'
_cod_database_code               1536335
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-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 0.0758 0.3767 1 0.0
Fe1 Fe+3 0 0.2317 0.3361 1 0.0
K1 K+1 0 0.0476 0.1426 1 0.0
Ba1 Ba+2 0 0.3568 0.0804 1 0.0
O3 O-2 0.25 0.2698 0.25 1 0.0
O1 O-2 0 0.3307 0.4515 1 0.0
