#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531811.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_1531811
loop_
_publ_author_name
'Moritomo, Y.'
'Machida, A.'
'Nonobe, T.'
'Ohoyama, K.'
_publ_section_title
;
 Neutron investigation of Ru-doped Nd1/2 Ca1/2 Mn O3 - comparison with
 Cr-doped Nd1/2 Ca1/2 Mn O3
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1626
_journal_page_last               1629
_journal_volume                  71
_journal_year                    2002
_chemical_formula_sum            'Ca0.5 Cr0.03 Mn0.97 Nd0.5 O3'
_chemical_name_systematic        'Nd0.5 Ca0.5 (Mn0.97 Cr0.03) 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                   5.3807
_cell_length_b                   5.4013
_cell_length_c                   7.5984
_cell_volume                     220.831
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Moritomo_JUPSAU_2002_1725.cif
_cod_data_source_block           Ca0.5Cr0.03Mn0.97Nd0.5O3
_cod_original_cell_volume        220.8306
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1531811
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
O1 O-2 0.9293 0.5128 0.25 1 0.0
O2 O-2 0.2859 0.7135 0.0364 1 0.0
Nd1 Nd+3 0.001 -0.0309 0.25 0.5 0.0
Cr1 Cr+3 0.5 0 0 0.03 0.0
Mn1 Mn+3 0.5 0 0 0.97 0.0
Ca1 Ca+2 0.001 -0.0309 0.25 0.5 0.0
