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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/26/1532654.cif $
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#
# 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_1532654
loop_
_publ_author_name
'Bombik, A.'
'Lesniewska, B.'
'Pacyna, A.W.'
'Mayer, J.'
_publ_section_title
;
 Crystal structure of solid solutions RE Fe1-x (Al or Ga)x O3 (RE = Tb,
 Er, Tm) and the correlation between superexchange interaction Fe(+3) -
 O(-2) - Fe(+3) linkage angles and Neel temperature
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              206
_journal_page_last               219
_journal_volume                  257
_journal_year                    2003
_chemical_formula_sum            'Fe O3 Tm'
_chemical_name_systematic        'Tm (Fe 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                   5.24589
_cell_length_b                   5.56769
_cell_length_c                   7.57918
_cell_volume                     221.369
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Bombik_JMMMDC_2003_819.cif
_cod_data_source_block           Fe1O3Tm1
_cod_original_cell_volume        221.3688
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Fe1 O3 Tm1'
_cod_database_code               1532654
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
Tm1 Tm+3 -0.01623 0.0693 0.25 1 0.0
O1 O-2 0.1088 0.4673 0.25 1 0.0
Fe1 Fe+3 0.5 0 0 1 0.0
O2 O-2 0.3016 0.3033 0.0623 1 0.0