#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/93/1539358.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_1539358
loop_
_publ_author_name
'Thumm, I.'
'Treiber, U.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Zur Struktur von Ba3 Sm Ru2 O9, Ba3 Sm Ir Ru O9 und Ba2 In Ir O6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              161
_journal_page_last               166
_journal_volume                  477
_journal_year                    1981
_chemical_formula_sum            'Ba2 In Ir 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                   5.873
_cell_length_b                   5.873
_cell_length_c                   14.626
_cell_volume                     436.894
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Thumm_ZAACAB_1981_1391.cif
_cod_data_source_block           Ba2In1Ir1O6
_cod_original_cell_volume        436.8942
_cod_original_formula_sum        'Ba2 In1 Ir1 O6'
_cod_database_code               1539358
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
Ba2 Ba+2 0.3333 0.6667 0.095 1 0.0
In1 In+3 0 0 0 1 0.0
O3 O-2 0.8333 0.1667 0.4167 1 0.0
O1 O-2 0.5 0.5 0.25 1 0.0
Ir2 Ir+5 0.3333 0.6667 0.85 1 0.0
In2 In+3 0.3333 0.6667 0.661 1 0.0
O2 O-2 0.8333 0.1667 0.0833 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.414 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Ir1 Ir+5 0 0 0.5 1 0.0
