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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/09/1530950.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_1530950
loop_
_publ_author_name
'Verdoes, D.'
'Zandbergen, H.W.'
'Ijdo, D.J.W.'
_publ_section_title
;
 Equilibria description for the system Ba O - Ru O2 - Fe2 O3 with less
 than 55 mol% Ba O at 1300 deg.C in platinum capsules; A crystallographic
 and leaching study
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1
_journal_page_last               10
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'Ba Fe2 O11 Ru4'
_chemical_name_systematic        'Ba Fe2 Ru4 O11'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.867
_cell_length_b                   5.867
_cell_length_c                   13.489
_cell_volume                     402.108
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Verdoes_MRBUAC_1987_1383.cif
_cod_data_source_block           Ba1Fe2O11Ru4
_cod_original_cell_volume        402.1079
_cod_original_formula_sum        'Ba1 Fe2 O11 Ru4'
_cod_database_code               1530950
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
-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
Ru2 Ru+3 0.5 0 0 0.838 0.0
Ru3 Ru+3 0.3333 0.6667 0.75 0.024 0.0
Ru1 Ru+3 0 0 0.1484 0.726 0.0
Fe3 Fe+3 0.3333 0.6667 0.75 0.972 0.0
O2 O-2 0.861 0.722 0.25 1 0.0
Fe1 Fe+3 0 0 0.1484 0.273 0.0
O3 O-2 0.3333 0.6667 0.578 1 0.0
Fe2 Fe+3 0.5 0 0 0.16 0.0
Ba1 Ba+2 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.17 0.34 0.081 1 0.0
