#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/89/1528935.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_1528935
loop_
_publ_author_name
'Treiber, U.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Untersuchungen an hexagonalen 6L-Perowskiten Ba2 B Os O6 mit B = Co, Ni
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              95
_journal_page_last               102
_journal_volume                  470
_journal_year                    1980
_chemical_formula_sum            'Ba2 Ni O6 Os'
_chemical_name_systematic        'Ba2 Ni Os 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                   5.735
_cell_length_b                   5.735
_cell_length_c                   14.076
_cell_volume                     400.938
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Treiber_ZAACAB_1980_39.cif
_cod_data_source_block           Ba2Ni1O6Os1
_cod_original_cell_volume        400.9376
_cod_original_formula_sum        'Ba2 Ni1 O6 Os1'
_cod_database_code               1528935
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 0.101 1 0.0
O1 O-2 0.5 -0.5 0.25 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.413 1 0.0
Ni2 Ni+2 0.3333 0.6667 0.658 1 0.0
Ba1 Ba+2 0 0 0.25 1 0.0
Os1 Os+6 0 0 0.5 1 0.0
O3 O-2 0.8333 -0.8333 0.4167 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
Os2 Os+6 0.3333 0.6667 0.842 1 0.0
O2 O-2 0.8333 -0.8333 0.0833 1 0.0
