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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/1/52/11/1521102.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_1521102
loop_
_publ_author_name
'Guo, Y.-Q.'
'Liu, Y.-C.'
'Zhou, H.-P.'
'Tao, K.'
'Wappling, R.'
_publ_section_title
;
 The crystallographic and magnetoresistance of (Ca F2)doped Nd0.67 Sr0.33
 Mn O3 compounds
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              236
_journal_page_last               241
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            'Ca0.02 F0.035 Mn Nd0.653 O2.952 Sr0.327'
_chemical_name_systematic        '(Nd0.653 Sr0.327 Ca0.02) Mn (O2.952 F0.035)'
_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                   5.459
_cell_length_b                   5.451
_cell_length_c                   7.695
_cell_volume                     228.980
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Guo_JSSCBI_1999_380.cif
_cod_data_source_block           Ca0.02F0.035Mn1Nd0.653O2.952Sr0.327
_cod_original_cell_volume        228.9802
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.02 F0.035 Mn1 Nd0.653 O2.952 Sr0.327'
_cod_database_code               1521102
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
O2 O-2 0.2105 0.2502 0.0261 0.976 0.0
Mn1 Mn+3 0 0 0 1 0.0
O1 O-2 0.5371 0.5031 0.25 1 0.0
Nd1 Nd+3 0.4935 0.0241 0.25 0.653 0.0
F1 F-1 0.2105 0.2502 0.0261 0.017 0.0
Sr1 Sr+2 0.4935 0.0241 0.25 0.328 0.0
Ca1 Ca+2 0.4935 0.0241 0.25 0.02 0.0
