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#$Date: 2015-09-09 11:54:26 +0300 (Wed, 09 Sep 2015) $
#$Revision: 155598 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/04/1530479.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_1530479
loop_
_publ_author_name
'Negas, T.'
'Roth, R.S.'
_publ_section_title
;
 Phase equilibria and structural relations in the system Ba Mn O3-X
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              323
_journal_page_last               339
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ba Mn O2.88'
_chemical_name_systematic        'Ba Mn O2.88'
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.683
_cell_length_b                   5.683
_cell_length_c                   14.096
_cell_volume                     394.259
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Negas_JSSCBI_1971_13.cif
_cod_data_source_block           Ba1Mn1O2.88
_cod_original_cell_volume        394.2592
_cod_chemical_formula_sum_orig   'Ba1 Mn1 O2.88'
_cod_database_code               1530479
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
-y,-x,-z
-x+y,y,z
x,x-y,-z
-y,-x,z
-x+y,y,-z
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
O4 O-2 0.1667 -0.1667 0.3333 0.96 0.0
O2 O-2 0.8333 -0.8333 0.5 0.96 0.0
Ba4 Ba+2 0.6667 0.3333 0.3333 1 0.0
O3 O-2 0.8333 -0.8333 0.1667 0.96 0.0
Mn3 Mn+3 0.6667 0.3333 0.0833 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O1 O-2 0.5 -0.5 0 0.96 0.0
Mn1 Mn+3 0 0 0.25 1 0.0
Mn2 Mn+3 0 0 0.4167 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.5 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.1667 1 0.0