#------------------------------------------------------------------------------
#$Date: 2015-07-08 16:15:25 +0200 (Wed 08 de Jul de 2015) $
#$Revision: 141180 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/10/7221097.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_7221097
loop_
_publ_author_name
'Karen, P.'
'Woodward, P.M.'
_publ_section_title
;
 Synthesis and structural investigations of the double perovskites RE Ba
 Fe2 O5+w (RE = Nd, Sm)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              789
_journal_page_last               797
_journal_volume                  9
_journal_year                    1998
_chemical_formula_sum            'Ba2 Fe4 O11 Sm2'
_chemical_name_systematic        'Sm2 Ba2 Fe4 O11'
_space_group_IT_number           53
_symmetry_space_group_name_Hall  '-P 2ac 2'
_symmetry_space_group_name_H-M   'P m n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.47744
_cell_length_b                   3.89602
_cell_length_c                   7.96825
_cell_volume                     480.489
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Karen_JMACEP_1998_159.cif
_cod_data_source_block           Ba2Fe4O11Sm2
_cod_original_cell_volume        480.4888
_cod_database_code               7221097
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-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
O5 O-2 0 0 0.5 1 0.0
Sm1 Sm+3 0 0.501 0.2651 1 0.0
Fe2 Fe+3 0.6229 0 0 1 0.0
Fe1 Fe+3 0.8751 0 0 1 0.0
O1 O-2 0.8977 -0.044 0.2383 1 0.0
O3 O-2 0.626 0.5 0 1 0.0
O2 O-2 0.9091 0.5 0 1 0.0
O4 O-2 0.753 0 0 1 0.0
Ba1 Ba+2 0.75 0.499 0.25 1 0.0
