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#$Date: 2015-09-19 01:02:40 +0300 (Sat, 19 Sep 2015) $
#$Revision: 158156 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/24/1532442.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_1532442
loop_
_publ_author_name
'Zhu, J.L.'
'Yu, R.C.'
'Jin, C.-Q.'
'Li, F.Y.'
'Zhang, Z.'
_publ_section_title
;
 The structure and properties of the manganate with nominal composition
 La1.0 Ca2.0 Mn2 O7
;
_journal_name_full               'Materials Science and Engineering B'
_journal_page_first              19
_journal_page_last               23
_journal_volume                  95
_journal_year                    2002
_chemical_formula_sum            'Ca1.8 La1.2 Mn2 O7'
_chemical_name_systematic        '(La1.2 Ca1.8) (Mn2 O7)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8354
_cell_length_b                   3.8354
_cell_length_c                   19.2679
_cell_volume                     283.436
_citation_journal_id_ASTM        MSBTEK
_cod_data_source_file            Zhu_MSBTEK_2002_794.cif
_cod_data_source_block           Ca1.8La1.2Mn2O7
_cod_original_cell_volume        283.4365
_cod_database_code               1532442
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,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
La2 La+3 0 0 0.309 0.2 0.0
O2 O-2 0 0.5 0.0931 1 0.0
La1 La+3 0 0 0.5 0.8 0.0
Ca1 Ca+2 0 0 0.5 0.2 0.0
O1 O-2 0 0 0 1 0.0
Ca2 Ca+2 0 0 0.309 0.8 0.0
O3 O-2 0 0 0.1919 1 0.0
Mn1 Mn+3 0 0 0.0957 1 0.0
