#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/41/4124111.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_4124111
loop_
_publ_author_name
'Tassel, C.'
'Watanabe, T.'
'Tsujimoto, Y.'
'Takano, M.'
'Kitada, A.'
'Sumida, Y.'
'Hayashi, N.'
'Yoshimura, K.'
'Yamamoto, T.'
'Kageyama, H.'
_publ_section_title
;
 Stability of the infinite layer structure with iron square planar
 coordination
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3764
_journal_page_last               3765
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Fe O2 Sr'
_chemical_name_systematic        'Sr Fe O2'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.99107
_cell_length_b                   3.99107
_cell_length_c                   3.47481
_cell_volume                     55.349
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Tassel_JACSAT_2008_1472.cif
_cod_data_source_block           Fe1O2Sr1
_cod_original_formula_sum        'Fe1 O2 Sr1'
_cod_database_code               4124111
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,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
Sr1 Sr+2 0.5 0.5 0.5 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
O1 O-2 0.5 0 0 1 0.0
