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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528740.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_1528740
loop_
_publ_author_name
'Mikhailova, D.'
'Ehrenberg, H.'
'Trots, D.'
'Brey, G.'
'Oswald, S.'
'Fuess, H.'
_publ_section_title
;
 Cr(x) Re(1-x) O2 oxides with different rutile-like structures: changes in
 the electronic configuration and resulting physical properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1506
_journal_page_last               1514
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Cr2 O6 Re'
_chemical_name_systematic        'Cr2 Re O6'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.542
_cell_length_b                   4.542
_cell_length_c                   8.9173
_cell_volume                     183.962
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mikhailova_JSSCBI_2009_1756.cif
_cod_data_source_block           Cr2O6Re1
_cod_original_cell_volume        183.9618
_cod_original_formula_sum        'Cr2 O6 Re1'
_cod_database_code               1528740
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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 0.293 0.293 0 1 0.0
Cr1 Cr+3 0 0 0.3329 1 0.0
O2 O-2 0.2985 0.2985 0.3383 1 0.0
Re1 Re+6 0 0 0 1 0.0
