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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/1/52/56/1525694.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_1525694
loop_
_publ_author_name
'Blasco, J.'
'Ritter, C.'
'Garcia, J.'
'de Teresa, J.M.'
'Perez-Cacho, J.'
'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            'Ca0.85 Mn O3 Tb0.15'
_chemical_name_systematic        '(Tb0.15 Ca0.85) (Mn O3)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3245
_cell_length_b                   7.4223
_cell_length_c                   5.2841
_cell_volume                     208.795
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Blasco_PRBMDO_2000_495.cif
_cod_data_source_block           Ca0.85Mn1O3Tb0.15
_cod_original_cell_volume        208.7947
_cod_original_formula_sum        'Ca0.85 Mn1 O3 Tb0.15'
_cod_database_code               1525694
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
O4 O-2 0.7937 0.0394 0.7826 1 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
O1 O-2 0.4822 0.25 0.0623 1 0.0
Ca1 Ca+2 0.033 0.25 -0.0063 0.85 0.0
Tb2 Tb+3 0.533 0.25 0.5063 0.15 0.0
Ca2 Ca+2 0.533 0.25 0.5063 0.85 0.0
O2 O-2 0.9822 0.25 0.4372 1 0.0
Tb1 Tb+3 0.033 0.25 -0.0063 0.15 0.0
O3 O-2 0.2937 0.0394 0.7174 1 0.0
Mn2 Mn+3 0.5 0 0 1 0.0
