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#$Date: 2015-10-05 12:23:18 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159819 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/35/1533565.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_1533565
loop_
_publ_author_name
'Tancret, N.'
'Roussel, P.'
'Abraham, F.'
_publ_section_title
;
 Layered perovskite-related ruthenium oxychlorides: crystal structure of
 two new compounds Ba5 Ru2 Cl2 O9 and Ba6 Ru3 Cl2 O12
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              806
_journal_page_last               816
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba6 Cl2 O12 Ru3'
_chemical_name_systematic        '(Ba2 Cl2) (Ba4 Ru3 O12)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.815
_cell_length_b                   5.815
_cell_length_c                   14.915
_cell_volume                     436.771
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Tancret_JSSCBI_2004_1873.cif
_cod_data_source_block           Ba6Cl2O12Ru3
_cod_original_cell_volume        436.7705
_cod_database_code               1533565
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
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
Ru1 Ru+4 0 0 0.178 1 0.0
Ba2 Ba+2 0.6667 0.3333 0.2177 1 0.0
Cl1 Cl-1 0.6667 0.3333 0.4169 1 0.0
Ba3 Ba+2 0.6667 0.3333 0.6242 1 0.0
Ba1 Ba+2 0.6667 0.3333 0.9202 1 0.0
Ru2 Ru+4 0 0 0 1 0.0
O1 O-2 0.162 0.838 0.2392 1 0.0
O2 O-2 0.156 0.844 0.9184 1 0.0