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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/2/10/70/2107054.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_2107054
loop_
_publ_author_name
'Lucchini, E.'
'Minichelli, D.'
'Meriani, S.'
_publ_section_title
;
 The crystal structure of beta-Ba Sr Fe4 O8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              919
_journal_page_last               920
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Ba Fe4 O8 Sr'
_chemical_name_systematic        'Ba Sr Fe4 O8'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.448
_cell_length_b                   5.448
_cell_length_c                   8.091
_cell_volume                     207.973
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Lucchini_ACBCAR_1973_703.cif
_cod_data_source_block           Ba1Fe4O8Sr1
_cod_original_formula_sum        'Ba1 Fe4 O8 Sr1'
_cod_database_code               2107054
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
x,x-y,z
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 0.6667 0.3333 0.5 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O1 O-2 0.3333 0.6667 0 1 0.0
Sr1 Sr+2 0 0 0.5 1 0.0
Fe2 Fe+3 0.6667 0.3333 0.255 1 0.0
O3 O-2 0.515 -0.515 0.26 1 0.0
Fe1 Fe+3 0.3333 0.6667 0.245 1 0.0
