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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/58/1525849.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_1525849
loop_
_publ_author_name
'Daoudi, A.'
'le Flem, G.'
_publ_section_title
;
 Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr,
 Nd, Sm, Eu, Gd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              57
_journal_page_last               61
_journal_volume                  5
_journal_year                    1972
_chemical_formula_sum            'Ca1.5 Mn Nd0.5 O4'
_chemical_name_systematic        'Ca1.50 Nd.50 Mn O4'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.385
_cell_length_b                   5.366
_cell_length_c                   11.81
_cell_volume                     341.261
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Daoudi_JSSCBI_1972_1753.cif
_cod_data_source_block           Ca1.5Mn1Nd0.5O4
_cod_original_cell_volume        341.2607
_cod_original_formula_sum        'Ca1.5 Mn1 Nd0.5 O4'
_cod_database_code               1525849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+1/2,y+1/2,z
x+1/2,-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
Nd2 Nd+2 0 0 0.645 0.25 0.0
O3 O-2 0 0 0.847 1 0.0
Nd1 Nd+2 0 0 0.355 0.25 0.0
O1 O-2 0.25 0.25 0 1 0.0
O2 O-2 0 0 0.153 1 0.0
Mn1 Mn+4 0 0 0 1 0.0
Ca2 Ca+2 0 0 0.645 0.75 0.0
Ca1 Ca+2 0 0 0.355 0.75 0.0