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#$Date: 2015-07-13 21:56:02 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150786 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/84/1528493.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_1528493
loop_
_publ_author_name
'Foo, M.L.'
'Huang, Q.'
'Cava, R.J.'
'Lynn, J.W.'
'Hagemann, I.S.'
'Lee, W.-L.'
'Ong, N.P.'
'Klimczuk, T.'
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba O3 Ru'
_chemical_name_systematic        'Ba Ru O3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   5.7554
_cell_length_b                   5.7554
_cell_length_c                   21.621
_cell_volume                     620.237
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_933.cif
_cod_data_source_block           Ba1O3Ru1
_cod_original_cell_volume        620.2367
_cod_chemical_formula_sum_orig   'Ba1 O3 Ru1'
_cod_database_code               1528493
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ba1 Ba+2 0 0 0 1 0.0
Ru1 Ru+4 0 0 0.5 1 0.0
Ba2 Ba+2 0 0 0.218 1 0.0
O1 O-2 0.5 0 0 1 0.0
Ru2 Ru+4 0 0 0.367 1 0.0
O2 O-2 0.178 0.822 0.5555 1 0.0