#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/66/1536627.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_1536627
loop_
_publ_author_name
'Withers, R.L.'
'James, M.'
'Goossens, D.J.'
_publ_section_title
;
 Atomic ordering in the doped rare earth cobaltates Ln0.33 Sr0.67 Co O3-d
 (Ln = Y(3+), Ho(3+) and Dy(3+))
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              198
_journal_page_last               208
_journal_volume                  174
_journal_year                    2003
_chemical_formula_sum            'Co O2.79 Sr0.67 Y0.33'
_chemical_name_systematic        'Y0.33 Sr0.67 Co O2.79'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.6282
_cell_length_b                   7.6282
_cell_length_c                   15.3337
_cell_volume                     892.259
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Withers_JSSCBI_2003_935.cif
_cod_data_source_block           Co1O2.79Sr0.67Y0.33
_cod_original_cell_volume        892.2593
_cod_original_formula_sum        'Co1 O2.79 Sr0.67 Y0.33'
_cod_database_code               1536627
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,-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
-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
Sr1 Sr+2 0 0 0.62 1 0.0
Co1 Co+3 0.2493 0.2493 0 1 0.0
Co2 Co+3 0.25 0.25 0.25 1 0.0
O1 O-2 0.2213 0.2213 0.1223 1 0.0
O4 O-2 0 0.2461 0.2532 1 0.0
O3 O-2 0.2265 0.5 0 1 0.0
O2 O-2 0.2547 0 0 0.58 0.0
Sr2 Sr+2 0 0.5 0.1344 0.83 0.0
Y1 Y+3 0 0 0.1488 1 0.0
Y2 Y+3 0 0.5 0.1344 0.17 0.0
