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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/4/00/23/4002392.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_4002392
loop_
_publ_author_name
'Huang, Y.H.'
'Karppinen, M.'
'Fjellvag, H.'
'Hauback, B.C.'
'Yamauchi, H.'
'Goodenough, J.B.'
_publ_section_title
;
 Crystal and magnetic structure of the orthorhombic perovskite Yb Mn O3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2130
_journal_page_last               2134
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Mn O3 Yb'
_chemical_name_systematic        'Yb 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                   5.216
_cell_length_b                   5.803
_cell_length_c                   7.2816
_cell_volume                     220.403
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Huang_CMATEX_2006_838.cif
_cod_data_source_block           Mn1O3Yb1
_cod_original_cell_volume        220.4027
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Mn1 O3 Yb1'
_cod_database_code               4002392
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
Yb1 Yb+3 0.9826 0.0851 0.25 1 0.0
O2 O-2 0.697 0.331 0.0548 1 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
O1 O-2 0.1187 0.4558 0.25 1 0.0
