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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/1/52/86/1528662.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_1528662
loop_
_publ_author_name
'de la Calle, C.'
'Aguadero, A.'
'Alonso, J.A.'
'Fernandez-Diaz, M.T.'
_publ_section_title
;
 Correlation between reconstructive phase transitions and transport
 properties from Sr Co O2.5 brownmillerite: A neutron diffraction study
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1924
_journal_page_last               1935
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'Co0.83 O2.5 Sr'
_chemical_name_systematic        'Sr Co0.83 O2.5'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   9.5381
_cell_length_b                   9.5381
_cell_length_c                   12.6146
_cell_volume                     993.866
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            delaCalle_SSSCFJ_2008_1634.cif
_cod_data_source_block           Co0.83O2.5Sr1
_cod_original_cell_volume        993.8661
_cod_original_formula_sum        'Co0.83 O2.5 Sr1'
_cod_database_code               1528662
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
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
Sr1 Sr+2 0.644 0 0.5 1 0.0
O3 O-2 0.849 -0.004 0.6169 1 0.0
Sr2 Sr+2 0.318 0 0 1 0.0
O1 O-2 0.851 0 0 1 0.0
Co3 Co+3 0 0 0.284 1 0.0
Co1 Co+3 0 0 0.5 1 0.0
O2 O-2 0.496 0.667 0.48 1 0.0
Co2 Co+3 0 0 0.109 1 0.0
