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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004061.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_1004061
loop_
_publ_author_name
'Abraham, F'
'Trehoux, J'
'Thomas, D'
_publ_section_title
;
La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation
et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              43
_journal_page_last               52
_journal_paper_doi               10.1016/0025-5408(77)90087-3
_journal_volume                  12
_journal_year                    1977
_chemical_formula_structural     'LA4 RU6 O19'
_chemical_formula_sum            'La4 O19 Ru6'
_chemical_name_systematic        'LANTHANUM RUTHENIUM OXIDE (4/6/19)'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.981(3)
_cell_length_b                   8.981(3)
_cell_length_c                   8.981(3)
_cell_volume                     724.4
_exptl_crystal_density_meas      6.71(3)
_refine_ls_R_factor_all          0.025
_cod_database_code               1004061
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,z,x
z,x,y
x,-y,-z
y,-z,-x
z,-x,-y
-x,y,-z
-y,z,-x
-z,x,-y
-x,-y,z
-y,-z,x
-z,-x,y
1/2+x,1/2+y,1/2+z
1/2+y,1/2+z,1/2+x
1/2+z,1/2+x,1/2+y
1/2+x,1/2-y,1/2-z
1/2+y,1/2-z,1/2-x
1/2+z,1/2-x,1/2-y
1/2-x,1/2+y,1/2-z
1/2-y,1/2+z,1/2-x
1/2-z,1/2+x,1/2-y
1/2-x,1/2-y,1/2+z
1/2-y,1/2-z,1/2+x
1/2-z,1/2-x,1/2+y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
La1 La3+ 8 c 0.16279(4) 0.16279(4) 0.16279(4) 1. 0 d
Ru1 Ru4+ 12 e 0.36147(6) 0.5 0. 1. 0 d
O1 O2- 12 d 0.33313(79) 0. 0. 1. 0 d
O2 O2- 2 a 0. 0. 0. 1. 0 d
O3 O2- 24 f 0.34044(54) 0.28582(53) 0.97122(43) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Ru4+ 4.330
O2- -2.000