#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522162.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_1522162
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 I2 Si'
_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                   10.057
_cell_length_b                   14.064
_cell_length_c                   29.526
_cell_volume                     4176.206
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Wengert_JSSCBI_2000_1912.cif
_cod_data_source_block           Ba3I2Si1
_cod_original_formula_sum        'Ba3 I2 Si1'
_cod_database_code               1522162
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
Ba1 Ba+2 0.8339 0.125 0.125 1 0.0
I1 I-1 0.125 0.125 0.0481 1 0.0
Ba2 Ba+2 0.6407 0.356 0.034 1 0.0
Si1 Si-4 0.125 0.125 0.7092 1 0.0
I2 I-1 0.125 0.125 0.8793 1 0.0
