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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/1/54/19/1541967.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_1541967
loop_
_publ_author_name
'Gagulin, V.V.'
'Fadeeva, N.V.'
'Mitrofanov, K.P.'
'Belous, A.G.'
'Venevtsev, Yu.N.'
'Titov, A.V.'
'Solov'ev, S.P.'
'Plotnikova, M.V.'
_publ_section_title
;
 New seignette-magnets with hexagonal barium titanate structure
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              183
_journal_page_last               189
_journal_volume                  48
_journal_year                    1978
_chemical_formula_sum            'Ba3 Fe2 O9 W'
_chemical_name_systematic        'Ba3 Fe2 W O9'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.74
_cell_length_b                   5.74
_cell_length_c                   14.08
_cell_volume                     401.751
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            Gagulin_PSSABA_1978_1420.cif
_cod_data_source_block           Ba3Fe2O9W1
_cod_original_cell_volume        401.7511
_cod_original_formula_sum        'Ba3 Fe2 O9 W1'
_cod_database_code               1541967
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-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
O2 O-2 0.846 0.657 0.082 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
O1 O-2 0.514 0.028 0.25 1 0.0
Fe1 Fe+3 0 0 0 1 0.0
Fe2 Fe+3 0.3333 0.6667 0.852 0.5 0.0
W1 W+6 0.3333 0.6667 0.852 0.5 0.0
Ba2 Ba+2 0.3333 0.6667 0.092 1 0.0
