#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528962.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_1528962
loop_
_publ_author_name
'Vogt, T.'
'Woodward, P.M.'
'Hunter, B.A.'
'Karen, P.'
'Henning, P.'
'Moodenbaugh, A.R.'
_publ_section_title
;
 Low to high spin-state transition induced by charge ordering in
 antiferromagnetic Y Ba Co2 O5
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2969
_journal_page_last               2972
_journal_volume                  84
_journal_year                    2000
_chemical_formula_sum            'Ba Co2 O5 Y'
_chemical_name_systematic        'Y Ba Co2 O5'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.89069
_cell_length_b                   3.89069
_cell_length_c                   7.4994
_cell_volume                     113.522
_citation_journal_id_ASTM        PRLTAO
_cod_data_source_file            Vogt_PRLTAO_2000_714.cif
_cod_data_source_block           Ba1Co2O5Y1
_cod_original_cell_volume        113.5219
_cod_original_formula_sum        'Ba1 Co2 O5 Y1'
_cod_database_code               1528962
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
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
Ba1 Ba+2 0 0 0 1 0.0
Y1 Y+3 0 0 0.5 1 0.0
Co1 Co+2 0.5 0.5 0.2593 1 0.0
O1 O-2 0.5 0.5 0 1 0.0
O2 O-2 0 0.5 0.3122 1 0.0
