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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529604.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_1529604
loop_
_publ_author_name
'Battle, P.D.'
'Jones, C.W.'
_publ_section_title
;
 The crystal structure of La2 Ni Ru O6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1623
_journal_page_last               1627
_journal_volume                  22
_journal_year                    1987
_chemical_formula_sum            'La2 Ni O6 Ru'
_chemical_name_systematic        'La2 Ni (Ru O6)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5675
_cell_length_b                   5.5952
_cell_length_c                   7.8734
_cell_volume                     245.266
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Battle_MRBUAC_1987_1515.cif
_cod_data_source_block           La2Ni1O6Ru1
_cod_original_cell_volume        245.2665
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'La2 Ni1 O6 Ru1'
_cod_database_code               1529604
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
Ni1 Ni+2 0.5 0 0 0.5 0.0
La1 La+3 0.008 0.0411 0.25 1 0.0
O2 O-2 -0.0766 0.4865 0.25 1 0.0
Ru1 Ru+4 0.5 0 0 0.5 0.0
O1 O-2 0.2906 0.2914 0.0442 1 0.0
