#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532087.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_1532087
loop_
_publ_author_name
'Rivas-Murias, B.'
'Sanchez-Andujar, M.'
'Rivas, J.'
'Fondado, A.'
'Senaris Rodriguez, M.A.'
'Mira, J.'
_publ_section_title
;
 Structure, microstructure and magneto-transport properties of Pr1-x Bx Co
 O3-d (B(2+) = Ba(2+), Ca(2+)) perovskite materials
;
_journal_name_full
'New Trends in Intercalation Compounds for energy Storage'
_journal_page_first              577
_journal_page_last               584
_journal_volume                  61
_journal_year                    2002
_chemical_formula_sum            'Ba0.4 Co O3 Pr0.6'
_chemical_name_systematic        '(Pr0.6 Ba0.4) Co O3'
_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            2
_cell_length_a                   3.8939
_cell_length_b                   3.8939
_cell_length_c                   7.6378
_cell_volume                     115.808
_citation_journal_id_ASTM        NSSICD
_cod_data_source_file            Rivas-Murias_NSSICD_2002_1985.cif
_cod_data_source_block           Ba0.4Co1O3Pr0.6
_cod_original_cell_volume        115.8078
_cod_original_formula_sum        'Ba0.4 Co1 O3 Pr0.6'
_cod_database_code               1532087
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
Co1 Co+3 0.5 0.5 0.25 1 0.0
O2 O-2 0.5 0.5 0 1 0.0
Ba1 Ba+2 0 0 0 0.8 0.0
O1 O-2 0.5 0 0.2724 1 0.0
Pr2 Pr+3 0 0 0 0.2 0.0
O3 O-2 0.5 0.5 0.5 1 0.0
Pr1 Pr+3 0 0 0.5 1 0.0
