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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/20/1532089.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_1532089
loop_
_publ_author_name
'Rivas-Murias, B.'
'Sanchez-Andujar, M.'
'Senaris Rodriguez, M.A.'
'Fondado, A.'
'Mira, J.'
'Rivas, 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            'Ca0.1 Co O3 Pr0.9'
_chemical_name_systematic        '(Pr0.9 Ca0.1) Co O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.34812
_cell_length_b                   7.57696
_cell_length_c                   5.37475
_cell_volume                     217.798
_citation_journal_id_ASTM        NSSICD
_cod_data_source_file            Rivas-Murias_NSSICD_2002_1987.cif
_cod_data_source_block           Ca0.1Co1O3Pr0.9
_cod_original_cell_volume        217.7983
_cod_original_formula_sum        'Ca0.1 Co1 O3 Pr0.9'
_cod_database_code               1532089
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O2 O-2 0.2199 0.0293 0.786 1 0.0
O1 O-2 0.5036 0.25 0.0615 1 0.0
Pr1 Pr+3 -0.0292 0.25 -0.0062 0.9 0.0
Co1 Co+3 0 0 0.5 1 0.0
Ca1 Ca+2 -0.0292 0.25 -0.0062 0.1 0.0
