#------------------------------------------------------------------------------
#$Date: 2015-07-12 20:20:40 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147831 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/66/1526613.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_1526613
loop_
_publ_author_name
'Khalifah, P.'
'Huang, Q.'
'Zandbergen, H.W.'
'Ho, D.M.'
'Cava, R.J.'
_publ_section_title
;
 La7 Ru3 O18 and La4.87 Ru2 O12: geometric frustration in two closely
 related structures with isolated Ru O6 octahedra
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              189
_journal_page_last               197
_journal_volume                  155
_journal_year                    2000
_chemical_formula_sum            'La7 O18 Ru3'
_chemical_name_systematic        'La7 (Ru O6)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   9.83677
_cell_length_b                   9.83677
_cell_length_c                   56.3493
_cell_volume                     4721.981
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Khalifah_JSSCBI_2000_33.cif
_cod_data_source_block           La7O18Ru3
_cod_original_cell_volume        4721.98
_cod_database_code               1526613
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
O6 O-2 0.24877 0.10496 0.08287 1 0.0
O4 O-2 0.1833 0.0587 0.1408 1 0.0
La3 La+3 0 0 0.10361 1 0.0
Ru1 Ru+5 0.33097 0 0.25 1 0.0
Ru3 Ru+5 0 0 0 1 0.0
O3 O-2 0.1273 0.1901 0.17895 1 0.0
O5 O-2 0.1847 0.3102 0.10768 1 0.0
Ru2 Ru+5 0 0 0.16169 1 0.0
O2 O-2 -0.0034 0.1664 0.01912 1 0.0
O1 O-2 -0.0051 0.2008 0.22262 1 0.0
La2 La+3 0.38407 0.05532 0.05085 1 0.0
La1 La+3 0.00948 0.37023 0.18727 1 0.0
