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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/1/53/36/1533644.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_1533644
loop_
_publ_author_name
'Battle, P.D.'
'Burley, J.C.'
'Sloan, J.'
'Gallon, D.J.'
'Grey, C.P.'
_publ_section_title
;
 Magnetism and structural chemistry of the n=2 Ruddlesden-Popper phase La3
 Li Mn O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              119
_journal_page_last               125
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'La3 Li Mn O7'
_chemical_name_systematic        'La3 (Li Mn O7)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.39596
_cell_length_b                   5.39596
_cell_length_c                   20.2297
_cell_volume                     589.016
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Battle_JSSCBI_2004_1640.cif
_cod_data_source_block           La3Li1Mn1O7
_cod_original_cell_volume        589.0157
_cod_original_formula_sum        'La3 Li1 Mn1 O7'
_cod_database_code               1533644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,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
O5 O-2 0 0 0.4115 1 0.0
Li1 Li+1 0.259 0.259 0.4056 0.5 0.0
O2 O-2 0.2267 0.2267 0.2973 1 0.0
O3 O-2 0 0.5 0.0969 1 0.0
La1 La+3 0.2508 0.2508 0 1 0.0
La2 La+3 0.2577 0.2577 0.17853 1 0.0
O4 O-2 0 0 0.1026 1 0.0
O1 O-2 0.2266 0.7734 0 1 0.0
Mn1 Mn+4 0.259 0.259 0.4056 0.5 0.0
