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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/1/52/58/1525885.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_1525885
loop_
_publ_author_name
'Machida, A.'
'Moritomo, Y.'
'Ohoyama, K.'
'Nakamura, A.'
_publ_section_title
;
 Neutron investigation of Tb1-x Cax Mn O3 (x >= 0.5)
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              3739
_journal_page_last               3746
_journal_volume                  70
_journal_year                    2001
_chemical_formula_sum            'Ca0.5 Mn O2.991 Tb0.5'
_chemical_name_systematic        '(Tb0.5 Ca0.5) Mn O2.991'
_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                   5.3338
_cell_length_b                   5.4584
_cell_length_c                   7.4666
_cell_volume                     217.383
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Machida_JUPSAU_2001_1822.cif
_cod_data_source_block           Ca0.5Mn1O2.991Tb0.5
_cod_original_cell_volume        217.3827
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.5 Mn1 O2.991 Tb0.5'
_cod_database_code               1525885
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
O1 O-2 0.9184 0.5204 0.25 0.997 0.0
Tb1 Tb+3 0.0113 -0.0498 0.25 0.5 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
Ca1 Ca+2 0.0113 -0.0498 0.25 0.5 0.0
O2 O-2 0.2932 0.7065 0.0425 0.997 0.0
