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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521097.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_1521097
loop_
_publ_author_name
'Guo, Y.-Q.'
'Tao, K.'
'Liu, Y.-C.'
'Zhou, H.-P.'
'Wappling, R.'
_publ_section_title
;
 Crystal structures and giant magnetoresistance of fluoride La2/3 Ca1/3 Mn
 O3 compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              33
_journal_page_last               38
_journal_volume                  296
_journal_year                    2000
_chemical_formula_sum            'Ca0.35 F0.05 La0.625 Mn O2.9'
_chemical_name_systematic        '(La0.625 Ca0.35) Mn O (O1.9 F0.05)'
_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                   5.49
_cell_length_b                   5.471
_cell_length_c                   7.731
_cell_volume                     232.207
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Guo_JALCEU_2000_1185.cif
_cod_data_source_block           Ca0.35F0.05La0.625Mn1O2.9
_cod_original_cell_volume        232.2067
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.35 F0.05 La0.625 Mn1 O2.9'
_cod_database_code               1521097
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 0.5878 0.4909 0.25 1 0.0
O2 O-2 0.2237 0.2698 0.0214 0.95 0.0
Ca1 Ca+2 0.4991 0.0187 0.25 0.35 0.0
Mn1 Mn+3 0 0 0 1 0.0
La1 La+3 0.4991 0.0187 0.25 0.63 0.0
F1 F-1 0.2237 0.2698 0.0214 0.025 0.0
