#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531999.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_1531999
loop_
_publ_author_name
'Prieto, A.L.'
'Siegrist, T.'
'Schneemeyer, L.F.'
_publ_section_title
;
 New barium manganese titanates prepared under reducing conditions
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              323
_journal_page_last               327
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Ba2 Mn O13 Ti5'
_chemical_name_systematic        'Ba2 (Mn Ti5 O13)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.228
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.075
_cell_length_b                   3.947
_cell_length_c                   9.0985
_cell_volume                     535.797
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Prieto_SSSCFJ_2002_923.cif
_cod_data_source_block           Ba2Mn1O13Ti5
_cod_original_cell_volume        535.7974
_cod_original_formula_sum        'Ba2 Mn1 O13 Ti5'
_cod_database_code               1531999
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Mn2 Mn+2 0.16889 0 0.44343 0.1667 0.0
Mn1 Mn+2 0.12143 0 0.09879 0.1667 0.0
Ti3 Ti+4 0.24685 0 0.77689 0.8333 0.0
Ti2 Ti+4 0.16889 0 0.44343 0.8333 0.0
O3 O-2 0.2403 0 0.2462 1 0.0
O7 O-2 0.6269 0 0.1111 1 0.0
Ba1 Ba+2 0.448916 0 0.22439 1 0.0
O1 O-2 0.7004 0 0.4302 1 0.0
O4 O-2 0.0718 0 0.2998 1 0.0
O2 O-2 0.8715 0 0.3825 1 0.0
Mn3 Mn+2 0.24685 0 0.77689 0.1667 0.0
Ti1 Ti+4 0.12143 0 0.09879 0.8333 0.0
O5 O-2 0.8297 0 0.0825 1 0.0
O6 O-2 0 0 0 1 0.0
