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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/1/53/66/1536658.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_1536658
loop_
_publ_author_name
'Eisenmann, B.'
'Jakowski, M.'
'Schaefer, H.'
_publ_section_title
;
 Neue ternaere Varianten der Tl Se-Struktur: zur Kenntnis von Ba Al2
 Te4(II), Sr Ga2 Te4, Sr In2 Te4 und Ba In2 Te4
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              263
_journal_page_last               273
_journal_volume                  19
_journal_year                    1982
_chemical_formula_sum            'Ba In2 Te4'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.74
_cell_length_b                   11.621
_cell_length_c                   11.634
_cell_volume                     911.239
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Eisenmann_RVCMA8_1982_82.cif
_cod_data_source_block           Ba1In2Te4
_cod_original_cell_volume        911.2393
_cod_original_formula_sum        'Ba1 In2 Te4'
_cod_database_code               1536658
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z+1/2
-x,y,-z+1/2
-x,-y,-z
x,y,-z
-x,y,z-1/2
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z-1/2
x+1/2,-y+1/2,z-1/2
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
Te1 Te-2 0.2346 0.4282 0 1 0.0
Ba1 Ba+2 0 0.5 0.25 1 0.0
Te2 Te-2 0.25 0.25 0.3216 1 0.0
In1 In+3 0.9983 0.2387 0 1 0.0
