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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528666.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_1528666
loop_
_publ_author_name
'Battle, P.D.'
'Grey, C.P.'
'Rodgers, J.A.'
'Sloan, J.'
_publ_section_title
;
 Structural chemistry of Ln2 Ba Li Ru O7 (Ln = La, Pr)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              280
_journal_page_last               288
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'Ba Li O7 Pr2 Ru'
_chemical_name_systematic        'Pr2 Ba Li Ru O7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90.007
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.59656
_cell_length_b                   5.58147
_cell_length_c                   20.5643
_cell_volume                     642.368
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Battle_SSSCFJ_2006_889.cif
_cod_data_source_block           Ba1Li1O7Pr2Ru1
_cod_original_cell_volume        642.3677
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'Ba1 Li1 O7 Pr2 Ru1'
_cod_database_code               1528666
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
O4 O-2 0.7075 0.244 0.2049 1 0.0
Pr1 Pr+3 0.722 0.734 0.1821 1 0.0
Pr2 Pr+3 0.256 0.255 0.1817 1 0.0
O1 O-2 0.2285 0.746 -0.0088 1 0.0
O7 O-2 0.506 0 0.1024 1 0.0
Ru2 Ru+5 0.748 0.24 0.1023 0.915 0.0
Ba1 Ba+2 0.7461 0.75 0.0013 1 0.0
O6 O-2 0.313 0.8 0.2108 1 0.0
O3 O-2 -0.012 0.49 0.1134 1 0.0
O2 O-2 0.499 0.491 0.101 1 0.0
O5 O-2 0 0.997 0.1155 1 0.0
Li2 Li+1 0.748 0.24 0.1023 0.085 0.0
Li1 Li+1 0.238 0.77 0.1051 0.915 0.0
Ru1 Ru+5 0.238 0.77 0.1051 0.085 0.0
