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#$Date: 2015-10-10 05:21:38 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164422 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/66/1536634.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_1536634
loop_
_publ_author_name
'Withers, R.L.'
'Goossens, D.J.'
'James, M.'
_publ_section_title
;
 Atomic ordering in the doped rare earth cobaltates Ln0.33 Sr0.67 CoO3-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 Ho0.33 O2.76 Sr0.67'
_chemical_name_systematic        'Ho0.33 Sr0.67 Co O2.76'
_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                   7.6188
_cell_length_b                   7.6188
_cell_length_c                   15.3079
_cell_volume                     888.564
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Withers_JSSCBI_2003_937.cif
_cod_data_source_block           Co1Ho0.33O2.76Sr0.67
_cod_original_cell_volume        888.5641
_cod_chemical_formula_sum_orig   'Co1 Ho0.33 O2.76 Sr0.67'
_cod_database_code               1536634
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
Ho1 Ho+3 0 0 0.1479 1 0.0
Sr1 Sr+2 0 0 0.6226 1 0.0
O2 O-2 0.2562 0 0 0.52 0.0
Co1 Co+3 0.2495 0.2495 0 1 0.0
O3 O-2 0.2224 0.5 0 1 0.0
Co2 Co+3 0.25 0.25 0.25 1 0.0
Ho2 Ho+3 0 0.5 0.1336 0.17 0.0
O4 O-2 0 0.2469 0.2562 1 0.0
O1 O-2 0.222 0.222 0.1236 1 0.0
Sr2 Sr+2 0 0.5 0.1336 0.83 0.0