#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528909.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_1528909
loop_
_publ_author_name
'Taguchi, H.'
'Hirata, K.'
'Kato, M.'
'Hirota, K.'
_publ_section_title
;
 Behavior of Mn(3+) ions in four-layered hexagonal (Sr(1-x-y) La(x) Ba(y))
 Mn O3
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              491
_journal_page_last               495
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'Ba0.4 La0.02 Mn O3 Sr0.58'
_chemical_name_systematic        '(Sr0.58 Ba0.4 La0.02) Mn O3'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.5342
_cell_length_b                   5.5342
_cell_length_c                   9.1341
_cell_volume                     242.274
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Taguchi_SSSCFJ_2009_1682.cif
_cod_data_source_block           Ba0.4La0.02Mn1O3Sr0.58
_cod_original_cell_volume        242.2736
_cod_original_formula_sum        'Ba0.4 La0.02 Mn1 O3 Sr0.58'
_cod_database_code               1528909
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
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-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
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
Sr1 Sr+2 0 0 0 0.58 0.0
Mn1 Mn+3 0.3333 0.6667 0.614 1 0.0
La1 La+3 0 0 0 0.02 0.0
La2 La+3 0.3333 0.6667 0.25 0.02 0.0
Ba2 Ba+2 0.3333 0.6667 0.25 0.4 0.0
Ba1 Ba+2 0 0 0 0.4 0.0
O2 O-2 -0.186 -0.372 0.25 1 0.0
O1 O-2 0.5 0 0 1 0.0
Sr2 Sr+2 0.3333 0.6667 0.25 0.58 0.0
