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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/4/03/12/4031263.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_4031263
loop_
_publ_author_name
'Retuerto, M.'
'Fernandez-Diaz, M.T.'
'Garcia-Hernandez, M.'
'Martinez-Lope, M.J.'
'Alonso, J.A.'
_publ_section_title
;
 Crystal and magnetic structure of Sr2 M Re O6 (M = Ni, Co, Zn) double
 perovskites: a neutron diffraction study
;
_journal_name_full               'European Journal of Inorganic Chemistry'
_journal_page_first              588
_journal_page_last               595
_journal_volume                  2008
_journal_year                    2008
_chemical_formula_sum            'Co O6 Re Sr2'
_chemical_name_systematic        'Sr2 Co Re O6'
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5631
_cell_length_b                   5.5631
_cell_length_c                   7.9516
_cell_volume                     246.087
_citation_journal_id_ASTM        EJICFO
_cod_data_source_file            Retuerto_EJICFO_2008_1492.cif
_cod_data_source_block           Co1O6Re1Sr2
_cod_original_cell_volume        246.0868
_cod_original_formula_sum        'Co1 O6 Re1 Sr2'
_cod_database_code               4031263
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+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
O2 O-2 0.2897 0.2282 0 1 0.0
Co1 Co+2 0 0 0 1 0.0
Re1 Re+6 0 0 0.5 1 0.0
Sr1 Sr+2 0 0.5 0.25 1 0.0
O1 O-2 0 0 0.2575 1 0.0
