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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/23/4002367.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_4002367
loop_
_publ_author_name
'Adkin, J.J.'
'Hayward, M.A.'
_publ_section_title
;
 Ba Mn O(3-x) revisited: a structural and magnetic study
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              755
_journal_page_last               762
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba Mn O2.92'
_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                   5.6445
_cell_length_b                   5.6445
_cell_length_c                   13.9565
_cell_volume                     385.086
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Adkin_CMATEX_2007_1381.cif
_cod_data_source_block           Ba1Mn1O2.92
_cod_original_cell_volume        385.0863
_cod_original_formula_sum        'Ba1 Mn1 O2.92'
_cod_database_code               4002367
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
O2 O-2 0.8497 -0.8497 0.5 0.952 0.0
Mn1 Mn+3 0 0 0.2363 1 0.0
Ba2 Ba+2 0.3333 0.6667 0.5 1 0.0
Ba4 Ba+2 0.6667 0.3333 0.3371 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O1 O-2 0.521 0.479 0 0.927 0.0
O3 O-2 0.8333 -0.8331 0.1651 0.998 0.0
Mn2 Mn+3 0 0 0.4138 1 0.0
Ba3 Ba+2 0.3333 0.6667 0.1669 1 0.0
O4 O-2 0.1489 -0.1489 0.32732 0.984 0.0
Mn3 Mn+3 0.6667 0.3333 0.0913 1 0.0
