#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531927.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_1531927
loop_
_publ_author_name
'Nakano, H.'
'Mori, T.'
'Kamegashira, N.'
_publ_section_title
;
 Structural analysis of La0.025 Sr0.975 Mn O3 with a new layered structure
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              179
_journal_page_last               185
_journal_volume                  343
_journal_year                    2002
_chemical_formula_sum            'La0.025 Mn O3 Sr0.975'
_chemical_name_systematic        '(La0.025 Sr0.975) (Mn O3)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.447
_cell_length_b                   5.447
_cell_length_c                   9.089
_cell_volume                     233.540
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nakano_JALCEU_2002_515.cif
_cod_data_source_block           La0.025Mn1O3Sr0.975
_cod_original_cell_volume        233.5401
_cod_original_formula_sum        'La0.025 Mn1 O3 Sr0.975'
_cod_database_code               1531927
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-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
Mn3 Mn+3 0.3333 0.6667 0.871 0.025 0.0
Sr1 Sr+2 0 0 0 0.975 0.0
La2 La+3 0.3333 0.6667 0.25 0.025 0.0
La1 La+3 0 0 0 0.025 0.0
Sr2 Sr+2 0.3333 0.6667 0.25 0.975 0.0
Mn4 Mn+4 0.3333 0.6667 0.871 0.975 0.0
Mn1 Mn+3 0.3333 0.6667 0.599 0.025 0.0
Mn2 Mn+4 0.3333 0.6667 0.599 0.975 0.0
O2 O-2 0.78 0.641 0.27 1 0.0
O1 O-2 0.53 0.02 0.02 1 0.0
