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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/7/22/12/7221296.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_7221296
loop_
_publ_author_name
'Hector, A.L.'
'Hutchings, J.'
'Needs, R.L.'
'Thomas, M.F.'
'Weller, M.T.'
_publ_section_title
;
 Structural and Moessbauer 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            'F Fe O3 Sr2'
_chemical_name_systematic        'Sr2 (Fe O3) F'
_space_group_IT_number           112
_symmetry_space_group_name_Hall  'P -4 2c'
_symmetry_space_group_name_H-M   'P -4 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.45099
_cell_length_b                   5.45099
_cell_length_c                   26.2932
_cell_volume                     781.258
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Hector_JMACEP_2001_1409.cif
_cod_data_source_block           F1Fe1O3Sr2
_cod_original_cell_volume        781.2576
_cod_original_formula_sum        'F1 Fe1 O3 Sr2'
_cod_database_code               7221296
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z+1/2
-y,-x,z+1/2
-x,y,-z+1/2
y,x,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
Fe1 Fe+3 0.25 0.25 0.11389 1 0.0
O4 O-2 0 0.5 0.12667 1 0.0
O3 O-2 0.5 0.5 0.12667 1 0.0
Sr1 Sr+2 0.25 0.75 0.05247 1 0.0
O5 O-2 0.5 0 0.12667 1 0.0
F1 F-1 0.25 0.25 0.2168 1 0.0
O1 O-2 0.25 0.25 0.04138 1 0.0
O2 O-2 0 0 0.12667 1 0.0
Sr2 Sr+2 0.25 0.75 0.18891 1 0.0
