#------------------------------------------------------------------------------
#$Date: 2015-07-13 20:00:48 +0200 (lun 13 de jul de 2015) $
#$Revision: 150614 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/84/1528420.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_1528420
loop_
_publ_author_name
'Cotton, F.A.'
'Rice, C.E.'
_publ_section_title
;
 La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal
 structure type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              359
_journal_page_last               365
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'La8 O21 Ru4'
_chemical_name_systematic        'La8 Ru4 O21'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.885
_cell_length_b                   9.885
_cell_length_c                   10.805
_cell_volume                     914.342
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cotton_JSSCBI_1978_171.cif
_cod_data_source_block           La8O21Ru4
_cod_original_cell_volume        914.3422
_cod_database_code               1528420
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
-x+y,y,z+1/2
-x,-x+y,z
-y,-x,z+1/2
x-y,-y,z
x,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
La3 La+3 0.6028 0 0.093 1 0.0
O4 O-2 0.5461 0.7019 0.0348 1 0.0
O5 O-2 0.4415 0 0.3754 1 0.0
Ru2 Ru+4 0.6449 0 0.4017 1 0.0
O1 O-2 0.8404 0 0.3854 1 0.0
O3 O-2 0.4364 0.273 0.27 1 0.0
La1 La+3 0.3333 0.6667 0.3831 1 0.0
O2 O-2 0.8457 0 0.1081 1 0.0
Ru1 Ru+4 0 0 0 1 0.0
La2 La+3 0.242 0 0.2321 1 0.0
