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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527693.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_1527693
loop_
_publ_author_name
'Krischner, H.'
'Kolbesen, B.O.'
'Torkar, K.'
_publ_section_title
;
 Beitraege zum System Ba O-Ni O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              349
_journal_page_last               357
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ba Ni O3'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.631
_cell_length_b                   5.631
_cell_length_c                   4.808
_cell_volume                     132.028
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Krischner_JSSCBI_1971_1647.cif
_cod_data_source_block           Ba1Ni1O3
_cod_original_formula_sum        'Ba1 Ni1 O3'
_cod_database_code               1527693
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
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
Ba1 Ba+2 0.3333 0.6667 0.25 1 0.0
O1 O-2 0.15 -0.15 -0.275 1 0.0
Ni1 Ni+4 0 0 0.0275 1 0.0
