#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/21/1522163.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_1522163
loop_
_publ_author_name
'Wengert, S.'
'Nesper, R.'
_publ_section_title
;
 Ba3 Si I2, a double salt of barium iodide and the Zintl phase Ba2 Si
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              460
_journal_page_last               465
_journal_volume                  152
_journal_year                    2000
_chemical_formula_sum            'Ba3 Ge I2'
_chemical_name_systematic        'Ba3 I2 Ge'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.064
_cell_length_b                   14.082
_cell_length_c                   29.605
_cell_volume                     4195.658
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wengert_JSSCBI_2000_1913.cif
_cod_data_source_block           Ba3Ge1I2
_cod_original_cell_volume        4195.657
_cod_original_formula_sum        'Ba3 Ge1 I2'
_cod_database_code               1522163
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
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
I2 I-1 0.125 0.125 0.8792 1 0.0
Ba2 Ba+2 0.6405 0.3564 0.0341 1 0.0
Ge1 Ge-4 0.125 0.125 0.7091 1 0.0
I1 I-1 0.125 0.125 0.048 1 0.0
Ba1 Ba+2 0.8347 0.125 0.125 1 0.0
