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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/20/1522050.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_1522050
loop_
_publ_author_name
'Troyanchuk, I.O.'
'Solovykh, T.K.'
'Khalyavin, D.D.'
'Szymczak, H.'
'Huang, Q.'
'Lynn, J.W.'
_publ_section_title
;
 Magnetic and crystal structure phase transitions in R1-x Bax Co O3-y (R =
 Nd, Gd)
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2485
_journal_page_last               2493
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ba Co2 Nd O5.76'
_chemical_name_systematic        'Nd Ba Co2 O5.76'
_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                   3.90362
_cell_length_b                   3.90362
_cell_length_c                   7.60938
_cell_volume                     115.954
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Troyanchuk_JCOMEL_2000_1468.cif
_cod_data_source_block           Ba1Co2Nd1O5.76
_cod_original_cell_volume        115.9536
_cod_original_formula_sum        'Ba1 Co2 Nd1 O5.76'
_cod_database_code               1522050
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 0.073 0.0
Co1 Co+3 0.5 0.5 0.2508 1 0.0
O1 O-2 0.5 0.5 0 0.756 0.0
O2 O-2 0.5 0.5 0.5 1 0.0
Nd1 Nd+3 0 0 0 0.927 0.0
Nd2 Nd+3 0 0 0.5 0.073 0.0
Ba2 Ba+2 0 0 0.5 0.927 0.0
O3 O-2 0.5 0 0.21788 1 0.0