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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/13/7221357.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_7221357
loop_
_publ_author_name
'Matje, P.'
'Schaefer, H.'
'Mueller, W.'
_publ_section_title
;
 Zur Darstellung und Kristallstruktur von Ba2 Mn Te3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              835
_journal_page_last               836
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'Ba2 Mn Te3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.72
_cell_length_b                   4.73
_cell_length_c                   18.98
_cell_volume                     872.617
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Matje_ZENBAX_1977_622.cif
_cod_data_source_block           Ba2Mn1Te3
_cod_original_cell_volume        872.6169
_cod_original_formula_sum        'Ba2 Mn1 Te3'
_cod_database_code               7221357
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Ba1 Ba+2 0.2458 0.25 0.4592 1 0.0
Mn1 Mn+2 0.1292 0.25 0.13592 1 0.0
Te2 Te-2 0.1872 0.25 0.2765 1 0.0
Te1 Te-2 0.0045 0.25 0.9005 1 0.0
Ba2 Ba+2 0.0785 0.25 0.7124 1 0.0
Te3 Te-2 0.3812 0.25 0.0717 1 0.0
