#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/44/4124487.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_4124487
loop_
_publ_author_name
'Burley, J.C.'
'Battle, P.D.'
'Gallon, D.J.'
'Sloan, J.'
'Grey, C.P.'
'Rosseinsky, M.J.'
_publ_section_title
;
 Magnetism and structural chemistry of the n=1 Ruddlesden-Popper phases
 La4 Li Mn O8 and La3 Sr Li Mn O8
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              620
_journal_page_last               628
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'La4 Li Mn O8'
_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            1
_cell_length_a                   3.78709
_cell_length_b                   3.78709
_cell_length_c                   12.9561
_cell_volume                     185.817
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Burley_JACSAT_2002_344.cif
_cod_data_source_block           La4Li1Mn1O8
_cod_original_cell_volume        185.8171
_cod_original_formula_sum        'La4 Li1 Mn1 O8'
_cod_database_code               4124487
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
La1 La+3 0 0 0.36282 1 0.0
O2 O-2 0.5 0 0 1 0.0
Li1 Li+1 0 0 0 0.5 0.0
Mn1 Mn+3 0 0 0 0.5 0.0
O1 O-2 0 0 0.17939 1 0.0
