#------------------------------------------------------------------------------
#$Date: 2015-09-17 23:03:32 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156831 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/13/1531376.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_1531376
loop_
_publ_author_name
'Esmaeilzadeh, S.'
'Grins, J.'
_publ_section_title
;
 Meta-stable phases in the Mn - Ta - O system
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              117
_journal_page_last               123
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'Mn4 O9 Ta2'
_chemical_name_systematic        'Mn4 (Ta2 O9)'
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.4308
_cell_length_b                   5.4308
_cell_length_c                   14.1194
_cell_volume                     360.640
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Esmaeilzadeh_SSSCFJ_2002_896.cif
_cod_data_source_block           Mn4O9Ta2
_cod_original_cell_volume        360.6405
_cod_database_code               1531376
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,z+1/2
x,x-y,z+1/2
-x+y,y,z+1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-y+2/3,-x+1/3,z+5/6
x+2/3,x-y+1/3,z+5/6
-x+y+2/3,y+1/3,z+5/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-y+1/3,-x+2/3,z+7/6
x+1/3,x-y+2/3,z+7/6
-x+y+1/3,y+2/3,z+7/6
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 0 0 0.333 0.0
Ta1 Ta+5 0 0 0 0.667 0.0
O1 O-2 0.071 0.356 0.075 1 0.0
Mn1 Mn+2 0 0 0.2862 1 0.0
