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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525934.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_1525934
loop_
_publ_author_name
'Martin, P.'
'Ruiz, A.I.'
'Campo, J.'
'Lopez, M.L.'
'Pico, C.'
'Veiga, M.L.'
_publ_section_title
;
 Conductivity and magnetic properties of new Ln Mn O3 derivatives
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              294
_journal_page_last               299
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Mn0.55 Na0.55 Nd1.45 O6 Ti1.45'
_chemical_name_systematic        '(Nd1.45 Na0.55) (Mn0.55 Ti1.45) O6'
_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            2
_cell_length_a                   5.426
_cell_length_b                   5.435
_cell_length_c                   7.694
_cell_volume                     226.898
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Martin_JSSCBI_2001_1696.cif
_cod_data_source_block           Mn0.55Na0.55Nd1.45O6Ti1.45
_cod_original_cell_volume        226.8984
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1525934
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
Nd1 Nd+3 -0.004 -0.021 0.25 0.725 0.0
Na1 Na+1 -0.004 -0.021 0.25 0.275 0.0
O2 O-2 0.75 0.266 0.021 1 0.0
O1 O-2 -0.077 0.447 0.25 1 0.0
Mn1 Mn+2 0.5 0 0 0.275 0.0
Ti1 Ti+4 0.5 0 0 0.725 0.0
