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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/1/52/97/1529756.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_1529756
loop_
_publ_author_name
'Cheetham, A.K.'
'Thomas, D.M.'
_publ_section_title
;
 An investigation of the low oxidation state chemistry of rhenium in the
 Ba O - Re - Re2 O7 phase diagram
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               69
_journal_volume                  71
_journal_year                    1987
_chemical_formula_sum            'Ba2 O5 Re'
_chemical_name_systematic        'Ba2 Re O5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3233
_cell_length_b                   5.7745
_cell_length_c                   11.4124
_cell_volume                     482.612
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cheetham_JSSCBI_1987_1490.cif
_cod_data_source_block           Ba2O5Re1
_cod_original_cell_volume        482.6121
_cod_original_formula_sum        'Ba2 O5 Re1'
_cod_database_code               1529756
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O1 O-2 0.3272 -0.0123 0.1189 1 0.0
O3 O-2 0.2218 0.25 0.4136 1 0.0
O2 O-2 0 0 0 1 0.0
O4 O-2 0.4771 0.25 0.692 1 0.0
Ba2 Ba+2 0.3319 0.25 0.9213 1 0.0
Ba1 Ba+2 0.0252 0.25 0.2136 1 0.0
Re1 Re+6 0.3261 0.25 0.5664 1 0.0
