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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/56/1525689.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_1525689
loop_
_publ_author_name
'Blasco, J.'
'Ritter, C.'
'Garcia, J.'
'Perez-Cacho, J.'
'de Teresa, J.M.'
'Ibarra, M.R.'
_publ_section_title
;
 Structural and magnetic study of Tb1-x Cax Mn O3 perovskites
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              5609
_journal_page_last               5618
_journal_volume                  62
_journal_year                    2000
_chemical_formula_sum            'Ca0.25 Mn O3 Tb0.75'
_chemical_name_systematic        '(Tb0.75 Ca0.25) (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.318
_cell_length_b                   5.5997
_cell_length_c                   7.4879
_cell_volume                     222.984
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Blasco_PRBMDO_2000_488.cif
_cod_data_source_block           Ca0.25Mn1O3Tb0.75
_cod_original_cell_volume        222.9837
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.25 Mn1 O3 Tb0.75'
_cod_database_code               1525689
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-z-1/2
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 0.7088 0.3015 0.0466 1 0.0
Ca1 Ca+2 0.9853 0.0645 0.25 0.25 0.0
O1 O-2 0.1042 0.4676 0.25 1 0.0
Tb1 Tb+3 0.9853 0.0645 0.25 0.75 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
