#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/80/1528016.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_1528016
loop_
_publ_author_name
'Schaller, H.U.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Ueber Ruthenium-Perowskite vom Typ Ba2 B Ru O6 und Ba3 B Ru2 O9 mit B=
 Indium, Rhodium
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              178
_journal_page_last               188
_journal_volume                  473
_journal_year                    1981
_chemical_formula_sum            'Ba2 In O6 Ru'
_chemical_name_systematic        'Ba2 In Ru O6'
_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            3
_cell_length_a                   5.866
_cell_length_b                   5.866
_cell_length_c                   14.44
_cell_volume                     430.310
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schaller_ZAACAB_1981_1339.cif
_cod_data_source_block           Ba2In1O6Ru1
_cod_original_cell_volume        430.3105
_cod_original_formula_sum        'Ba2 In1 O6 Ru1'
_cod_database_code               1528016
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
In2 In+3 0.3333 0.6667 0.659 1 0.0
Ru1 Ru+5 0 0 0.5 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.409 1 0.0
In1 In+3 0 0 0 1 0.0
O1 O-2 0.5 -0.5 0.25 1 0.0
Ru2 Ru+5 0.3333 0.6667 0.847 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.092 1 0.0
O3 O-2 0.83 -0.83 0.417 1 0.0
O2 O-2 0.83 -0.83 0.083 1 0.0
