#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/31/1533137.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_1533137
loop_
_publ_author_name
'Ellouze, M.'
'Boujelben, W.'
'Fuess, H.'
_publ_section_title
;
 Rietveld refinement X-ray powder data of Pr0.7 Ba0.3 Mn O3
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              29
_journal_page_last               31
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            'Ba0.3 Mn O3 Pr0.7'
_chemical_name_systematic        '(Pr0.7 Ba0.3) Mn 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                   5.49
_cell_length_b                   7.7578
_cell_length_c                   5.5227
_cell_volume                     235.214
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Ellouze_PODIE2_2003_599.cif
_cod_data_source_block           Ba0.3Mn1O3Pr0.7
_cod_original_cell_volume        235.2136
_cod_original_formula_sum        'Ba0.3 Mn1 O3 Pr0.7'
_cod_database_code               1533137
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
Pr1 Pr+3 0.0012 0.25 -0.0022 0.7 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
O2 O-2 0.2489 0.0253 0.7613 1 0.0
O1 O-2 0.5446 0.25 0.0506 1 0.0
Ba1 Ba+2 0.0012 0.25 -0.0022 0.3 0.0
