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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/30/1533001.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_1533001
loop_
_publ_author_name
'Karppinen, M.'
'Okamoto, H.'
'Motohashi, R.'
'Fjellvag, H.'
'Yamauchi, H.'
_publ_section_title
;
 Oxygen and cation ordered perovskite, Ba2 Y2 Mn4 O11
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2122
_journal_page_last               2128
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ba2 Mn4 O11 Y2'
_chemical_name_systematic        'Ba2 Y2 (Mn4 O11)'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.771
_cell_length_b                   8.159
_cell_length_c                   15.2709
_cell_volume                     469.849
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Karppinen_JSSCBI_2004_1745.cif
_cod_data_source_block           Ba2Mn4O11Y2
_cod_original_cell_volume        469.8488
_cod_original_sg_symbol_Hall     '-C 2 2 (z,x,y)'
_cod_database_code               1533001
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,y,-z
-x,-y,z
-x,-y,-z
-x,y,z
x,-y,z
x,y,-z
x,y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,z+1/2
-x,-y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x,y+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
O1 O-2 0 0.2228 0.1009 1 0.0
O4 O-2 0.5 0 0.3843 1 0.0
Ba1 Ba+2 0.5 0.25 0.25 1 0.0
Mn1 Mn+3 0 0 0.1145 1 0.0
O5 O-2 0 0 0.5 1 0.0
O2 O-2 0 0 0.2525 1 0.0
O3 O-2 0.581 0.053 0.0874 0.25 0.0
Y1 Y+3 0.5 0.2731 0 1 0.0
Mn2 Mn+3 0 0 0.3784 1 0.0
