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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531810.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_1531810
loop_
_publ_author_name
'Lindberg, F.'
'Istomin, S.Ya.'
'Svensson, G.'
'Berastegui, P.'
'Kazakov, S.M.'
'Antipov, E.V.'
_publ_section_title
;
 Synthesis and structural studies of Sr2 Co2-x Gax O5, 0.3 <= x <= 0.8
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              395
_journal_page_last               406
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Co1.3 Ga0.7 O5 Sr2'
_chemical_name_systematic        'Sr2 (Co1.3 Ga0.7) O5'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2 2b'
_symmetry_space_group_name_H-M   'I c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6126
_cell_length_b                   15.733
_cell_length_c                   5.4559
_cell_volume                     481.773
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lindberg_JSSCBI_2003_1610.cif
_cod_data_source_block           Co1.3Ga0.7O5Sr2
_cod_original_cell_volume        481.7725
_cod_original_sg_symbol_Hall     '-I 2b 2 (z,y,-x)'
_cod_database_code               1531810
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y+1/2,-z
-x,-y,z
-x,y+1/2,-z
-x,-y,-z
-x,y-1/2,z
x,y,-z
x,-y-1/2,z
x+1/2,y+1/2,z+1/2
x+1/2,-y+1,-z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,y+1,-z+1/2
-x+1/2,-y+1/2,-z+1/2
-x+1/2,y,z+1/2
x+1/2,y+1/2,-z+1/2
x+1/2,-y,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 0.0456 0.1434 0 1 0.0
O1 O-2 0.25 -0.0064 0.25 1 0.0
Co1 Co+3 0 0 0 0.88 0.0
O3 O-2 0.864 0.25 0.622 0.5 0.0
Co2 Co+3 -0.07 0.25 -0.039 0.21 0.0
Sr1 Sr+2 0.0147 0.1112 0.5 1 0.0
Ga2 Ga+3 -0.07 0.25 -0.039 0.29 0.0
Ga1 Ga+3 0 0 0 0.12 0.0
