#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/90/1529054.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_1529054
loop_
_publ_author_name
'Zhao Jinggeng'
'Yang Liuxiang'
'Yu Yong'
'Li Fengying'
'Yu Richeng'
'Jin Changqing'
_publ_section_title
;
 Structural and electrical properties evolution in Ba(1-x) Sr(x) Ru O3
 synthesized under high pressure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1524
_journal_page_last               1528
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Ba0.8 O3 Ru Sr0.2'
_chemical_name_systematic        'Ba0.8 Sr0.2 Ru O3'
_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            6
_cell_length_a                   5.6873
_cell_length_b                   5.6873
_cell_length_c                   14.0121
_cell_volume                     392.506
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            ZhaoJinggeng_JSSCBI_2009_1750.cif
_cod_data_source_block           Ba0.8O3Ru1Sr0.2
_cod_original_cell_volume        392.5059
_cod_original_formula_sum        'Ba0.8 O3 Ru1 Sr0.2'
_cod_database_code               1529054
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
O2 O-2 0.836 1.672 0.084 1 0.0
O1 O-2 0.51 1.02 0.25 1 0.0
Sr2 Sr+2 0 0 0.25 0.2 0.0
Ba3 Ba+2 0.3333 0.6667 0.09086 0.8 0.0
Sr4 Sr+2 0.3333 0.6667 0.09086 0.2 0.0
Ru2 Ru+4 0.3333 0.6667 0.693 1 0.0
Ba1 Ba+2 0 0 0.25 0.8 0.0
Ru1 Ru+4 0 0 0 1 0.0
