#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/71/2107115.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107115
loop_
_publ_author_name
'Okamoto, S.'
'Okamoto, S.I.'
'Ito, T.'
_publ_section_title
;
 The crystal structure of barium diferrite
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              832
_journal_page_last               838
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Ba Fe4 O7'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.16
_cell_length_b                   5.16
_cell_length_c                   13.811
_cell_volume                     318.460
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Okamoto_ACBCAR_1973_654.cif
_cod_data_source_block           Ba1Fe4O7
_cod_original_cell_volume        318.4602
_cod_original_formula_sum        'Ba1 Fe4 O7'
_cod_database_code               2107115
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-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
O1 O-2 0 0 0.25 1 0.0
O2 O-2 0.3435 0.3377 0.079 1 0.0
Fe1 Fe+3 0 0 0.1149 1 0.0
Ba1 Ba+2 0.6667 0.3333 0.25 1 0.0
Fe2 Fe+3 0.3333 0.6667 0.0089 1 0.0
