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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/1/53/18/1531800.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_1531800
loop_
_publ_author_name
'Mori, T.'
'Kamegashira, N.'
'Shishido, T.'
'Aoki, K.'
'Fukuda, T.'
_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 O3 Sm'
_chemical_name_systematic        'Sm (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                   5.862
_cell_length_b                   7.477
_cell_length_c                   5.362
_cell_volume                     235.017
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Mori_MLETDJ_2002_758.cif
_cod_data_source_block           Mn1O3Sm1
_cod_original_cell_volume        235.0174
_cod_original_formula_sum        'Mn1 O3 Sm1'
_cod_database_code               1531800
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
O1 O-2 0.473 0.25 0.097 1 0.0
Sm1 Sm+3 0.0759 0.25 0.985 1 0.0
O2 O-2 0.1759 0.5485 0.2076 1 0.0
