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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/54/1535472.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_1535472
loop_
_publ_author_name
'Mogare, K.M.'
'Friese, K.'
'Klein, W.'
'Jansen, M.'
_publ_section_title
;
 Syntheses and crystal structures of two sodium ruthenates: Na2 Ru o4 and
 Na2 Ru O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              547
_journal_page_last               552
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Na2 O4 Ru'
_chemical_name_systematic        'Na2 (Ru O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.1
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.721
_cell_length_b                   7.033
_cell_length_c                   10.871
_cell_volume                     716.215
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Mogare_ZAACAB_2004_1345.cif
_cod_data_source_block           Na2O4Ru1
_cod_original_cell_volume        716.2154
_cod_original_formula_sum        'Na2 O4 Ru1'
_cod_database_code               1535472
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
O1 O-2 0.1646 0.1455 0.3887 1 0.0
Na1 Na+1 0.3051 0.4632 0.4106 1 0.0
O2 O-2 0.4818 0.6489 0.3897 1 0.0
Na2 Na+1 0.3501 0.5609 0.9149 1 0.0
O8 O-2 0.0454 0.4809 0.3497 1 0.0
O6 O-2 0.3404 0.6789 0.5977 1 0.0
O3 O-2 0.3278 0.2512 0.2411 1 0.0
Na3 Na+1 0.1875 0.5152 0.0879 1 0.0
Ru2 Ru+6 0.00056 0.23202 0.24864 1 0.0
O4 O-2 0.0084 0.3212 0.0998 1 0.0
Na4 Na+1 0.1547 0.0049 0.0972 1 0.0
O7 O-2 0.4659 0.0064 0.6555 1 0.0
O5 O-2 0.1643 0.7294 0.2476 1 0.0
Ru1 Ru+6 0.50028 0.24486 0.251 1 0.0
