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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/7/22/25/7222503.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_7222503
loop_
_publ_author_name
'Assoud, A.'
'Soheilnia, N.'
'Kleinke, H.'
_publ_section_title
;
 From yellow to black: new semiconducting Ba chalcogeno-germanates
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              975
_journal_page_last               979
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'Ba2 Ge Se1.53 Te2.47'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.429
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4587
_cell_length_b                   7.3163
_cell_length_c                   9.3715
_cell_volume                     485.177
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Assoud_ZNBSEN_2004_1666.cif
_cod_data_source_block           Ba2Ge1Se1.53Te2.47
_cod_original_cell_volume        485.1768
_cod_original_formula_sum        'Ba2 Ge1 Se1.53 Te2.47'
_cod_database_code               7222503
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
Ge1 Ge+4 0.78527 0.25 0.70008 1 0.0
Ba2 Ba+2 0.23869 0.25 0.05989 1 0.0
Ba1 Ba+2 0.21969 0.25 0.55394 1 0.0
Te1 Te-2 0.61479 0.25 0.41553 1 0.0
Te2 Te-2 0.60213 0.25 0.89052 1 0.0
Te3 Te-2 0.99995 0.4939 0.2426 0.235 0.0
Se1 Se-2 0.99995 0.4939 0.2426 0.765 0.0
