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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/12/7221295.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_7221295
loop_
_publ_author_name
'Hector, A.L.'
'Hutchings, J.'
'Weller, M.T.'
'Thomas, M.F.'
'Needs, R.L.'
_publ_section_title
;
 Structural and Mossbauer study of Sr2 Fe O3 X (X = F, Cl, Br) and the
 magnetic structure of Sr2 Fe O3 F
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              527
_journal_page_last               532
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Br Fe O3 Sr2'
_chemical_name_systematic        'Sr2 Fe O3 Br'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9307
_cell_length_b                   3.9307
_cell_length_c                   15.1516
_cell_volume                     234.098
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Hector_JMACEP_2001_1408.cif
_cod_data_source_block           Br1Fe1O3Sr2
_cod_original_cell_volume        234.0983
_cod_original_formula_sum        'Br1 Fe1 O3 Sr2'
_cod_database_code               7221295
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
O1 O-2 0.75 0.25 0.21771 1 0.0
Br1 Br-1 0.75 0.75 0.4158 1 0.0
Fe1 Fe+3 0.75 0.75 0.19566 1 0.0
Sr2 Sr+2 0.25 0.25 0.3252 1 0.0
O2 O-2 0.75 0.75 0.0707 1 0.0
Sr1 Sr+2 0.25 0.25 0.091 1 0.0
