#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/16/1531617.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_1531617
loop_
_publ_author_name
'Karen, P.'
'Kjekshus, A.'
'Sora, I.N.'
'Huang, Q.'
'Karen, V.L.'
'Santoro, A.'
'Rosov, N.'
'Lynn, J.W.'
_publ_section_title
;
 Neutron powder diffraction study of nuclear and magnetic structures of
 oxidized and reduced Y Ba2 Fe3 O8+w
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               95
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Ba2 Fe3 O7.84 Y'
_chemical_name_systematic        'Y Ba2 Fe3 O7.84'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.91095
_cell_length_b                   3.92223
_cell_length_c                   11.7916
_cell_volume                     180.879
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Karen_JSSCBI_2003_1639.cif
_cod_data_source_block           Ba2Fe3O7.84Y1
_cod_original_formula_sum        'Ba2 Fe3 O7.84 Y1'
_cod_database_code               1531617
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
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
O5 O-2 0.5 0 0 0.99 0.0
O3 O-2 0 0.5 0.3817 1 0.0
Fe2 Fe+2 0 0 0.3394 1 0.0
O1 O-2 0 0 0.1821 1 0.0
O4 O-2 0 0.5 0 0.85 0.0
Ba1 Ba+2 0.5 0.5 0.1654 1 0.0
O2 O-2 0.5 0 0.3831 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
