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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/1/52/91/1529129.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_1529129
loop_
_publ_author_name
'Hansteen, O.H.'
'Breard, Y.'
'Fjellvag, H.'
'Hauback, B.C.'
_publ_section_title
;
 Divalent manganese in reduced La Mn O3-d - effect of oxygen
 nonstoichiometry on structural and magnetic properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              279
_journal_page_last               285
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'La Mn O2.78'
_chemical_name_systematic        'La (Mn O2.78)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5523
_cell_length_b                   7.9716
_cell_length_c                   5.5741
_cell_volume                     246.714
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Hansteen_SSSCFJ_2004_48.cif
_cod_data_source_block           La1Mn1O2.78
_cod_original_cell_volume        246.7137
_cod_original_formula_sum        'La1 Mn1 O2.78'
_cod_database_code               1529129
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Mn1 Mn+2 0 0 0.5 1 0.0
O1 O-2 0.483 0.25 0.078 1 0.0
O2 O-2 0.218 0.5364 0.222 0.89 0.0
La1 La+3 0.0226 0.25 0.9959 1 0.0
