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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/7/22/23/7222388.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_7222388
loop_
_publ_author_name
'Ramesha, K.'
'Eichhorn, B.'
'Sebastian, L.'
'Gopalakrishnan, J.'
_publ_section_title
;
 Pb2 Fe Re O6: new defect pyrochlore oxide with a geometrically frustrated
 Fe/Re sublattice
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2011
_journal_page_last               2014
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'Fe O6.1 Pb2 Re'
_chemical_name_systematic        'Pb2 (Fe Re O6.1)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.382
_cell_length_b                   10.382
_cell_length_c                   10.382
_cell_volume                     1119.033
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Ramesha_JMACEP_2003_782.cif
_cod_data_source_block           Fe1O6.1Pb2Re1
_cod_original_formula_sum        'Fe1 O6.1 Pb2 Re1'
_cod_database_code               7222388
loop_
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-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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-x,-z,-y
y,z,x
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-x,y+1/4,z+1/4
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x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
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-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
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z,y,x
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-x-1/4,-z+1/4,y-1/2
z-1/4,-x+1/2,y-3/4
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z,-y+1/4,-x-3/4
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
Fe1 Fe+2 0 0 0 0.5 0.0
Pb1 Pb+2 0.5 0.5 0.5 1 0.0
O2 O-2 0.375 0.375 0.375 0.1 0.0
O1 O-2 0.3243 0.125 0.125 1 0.0
Re1 Re+6 0 0 0 0.5 0.0
