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#$Date: 2015-09-18 02:31:53 +0300 (Fri, 18 Sep 2015) $
#$Revision: 157371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/17/1531799.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_1531799
loop_
_publ_author_name
'Mori, T.'
'Kamegashira, N.'
'Fukuda, T.'
'Shishido, T.'
'Aoki, K.'
_publ_section_title
;
 Crystal growth and crystal structures of the Ln Mn O3 perovskites: Ln =
 Nd, Sm, Eu and Gd
;
_journal_name_full               'Materials Letters'
_journal_page_first              238
_journal_page_last               243
_journal_volume                  54
_journal_year                    2002
_chemical_formula_sum            'Mn Nd O3'
_chemical_name_systematic        'Nd (Mn O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.849
_cell_length_b                   7.543
_cell_length_c                   5.416
_cell_volume                     238.949
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Mori_MLETDJ_2002_757.cif
_cod_data_source_block           Mn1Nd1O3
_cod_original_cell_volume        238.9485
_cod_chemical_formula_sum_orig   'Mn1 Nd1 O3'
_cod_database_code               1531799
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
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
Mn1 Mn+3 0 0 0.5 1 0.0
Nd1 Nd+3 0.07044 0.25 0.98658 1 0.0
O1 O-2 0.476 0.25 0.089 1 0.0
O2 O-2 0.1796 0.545 0.2132 1 0.0