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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/48/1534851.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_1534851
loop_
_publ_author_name
'Battle, P.D.'
'Goodenough, J.B.'
'Price, R.'
_publ_section_title
;
 The crystal structures and magnetic properties of Ba2 La Ru O6 and Ca2 La
 Ru O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              234
_journal_page_last               244
_journal_volume                  46
_journal_year                    1983
_chemical_formula_sum            'Ba2 La O6 Ru'
_chemical_name_systematic        'Ba2 La Ru O6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                89.86
_cell_angle_beta                 90.33
_cell_angle_gamma                90.03
_cell_formula_units_Z            2
_cell_length_a                   6.0299
_cell_length_b                   6.0587
_cell_length_c                   8.5371
_cell_volume                     311.883
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_1983_132.cif
_cod_data_source_block           Ba2La1O6Ru1
_cod_original_cell_volume        311.8828
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_original_formula_sum        'Ba2 La1 O6 Ru1'
_cod_database_code               1534851
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
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
La1 La+3 0 0.5 0 1 0.0
O1 O-2 0.274 0.229 -0.022 1 0.0
O2 O-2 0.261 0.778 0.025 1 0.0
Ba1 Ba+2 0.504 0.506 0.246 1 0.0
Ru1 Ru+5 0.5 0 0 1 0.0
O3 O-2 0.503 0.037 0.225 1 0.0
