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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/1/52/11/1521126.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_1521126
loop_
_publ_author_name
'Ganguly, R.'
'Siruguri, V.'
'Gopalakrishnan, I.K.'
'Yakhmi, J.V.'
_publ_section_title
;
 Stability of the layered Sr3 Ti2 O7 structure in La1.2 (Sr1-x Cax)1.8 Mn2
 O7
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              1683
_journal_page_last               1689
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca0.4 La0.6 Mn O3'
_chemical_name_systematic        '(La0.6 Ca0.4) Mn 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                   5.442
_cell_length_b                   5.4538
_cell_length_c                   7.6792
_cell_volume                     227.915
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ganguly_JCOMEL_2000_1461.cif
_cod_data_source_block           Ca0.4La0.6Mn1O3
_cod_original_cell_volume        227.9154
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ca0.4 La0.6 Mn1 O3'
_cod_database_code               1521126
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
La1 La+3 0.994 0.019 0.25 0.6 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
Ca1 Ca+2 0.994 0.019 0.25 0.4 0.0
O1 O-2 0.056 0.501 0.25 1 0.0
O2 O-2 0.746 0.294 0.024 1 0.0
