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#$Date: 2015-10-10 13:40:06 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165377 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106953.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106953
loop_
_publ_author_name
'Fleming, D.K.'
_publ_section_title
;
 The crystal and molecular structure of dodecachloropentasilane silicon
 tetrachloride
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1233
_journal_page_last               1236
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cl16 Si6'
_chemical_name_systematic        '(Si5 Cl12) (Si Cl4)'
_space_group_IT_number           219
_symmetry_space_group_name_Hall  'F -4a 2 3'
_symmetry_space_group_name_H-M   'F -4 3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.344
_cell_length_b                   17.344
_cell_length_c                   17.344
_cell_volume                     5217.324
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Fleming_ACBCAR_1972_1996.cif
_cod_data_source_block           Cl16Si6
_cod_database_code               2106953
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/2,-x,-z
-x+1/2,-y+1/2,z
-y,x+1/2,-z
x,-y,-z
-y+1/2,-x,z
-x+1/2,y+1/2,-z
y,x+1/2,z
z,x,y
x+1/2,-z,-y
-z+1/2,-x+1/2,y
-x,z+1/2,-y
z,-x,-y
-x+1/2,-z,y
-z+1/2,x+1/2,-y
x,z+1/2,y
y,z,x
y,-z+1/2,-x+1/2
-z,-y,x+1/2
-y+1/2,z,-x+1/2
z+1/2,y,x
-y,-z,x
-z,y,-x+1/2
z+1/2,-y+1/2,-x+1/2
x,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1,z+1/2
-y,x+1,-z+1/2
x,-y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
-x+1/2,y+1,-z+1/2
y,x+1,z+1/2
z,x+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
-z+1/2,-x+1,y+1/2
-x,z+1,-y+1/2
z,-x+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
-z+1/2,x+1,-y+1/2
x,z+1,y+1/2
y,z+1/2,x+1/2
y,-z+1,-x+1
-z,-y+1/2,x+1
-y+1/2,z+1/2,-x+1
z+1/2,y+1/2,x+1/2
-y,-z+1/2,x+1/2
-z,y+1/2,-x+1
z+1/2,-y+1,-x+1
x+1/2,y,z+1/2
y+1,-x,-z+1/2
-x+1,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y,-z+1/2
-y+1,-x,z+1/2
-x+1,y+1/2,-z+1/2
y+1/2,x+1/2,z+1/2
z+1/2,x,y+1/2
x+1,-z,-y+1/2
-z+1,-x+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
z+1/2,-x,-y+1/2
-x+1,-z,y+1/2
-z+1,x+1/2,-y+1/2
x+1/2,z+1/2,y+1/2
y+1/2,z,x+1/2
y+1/2,-z+1/2,-x+1
-z+1/2,-y,x+1
-y+1,z,-x+1
z+1,y,x+1/2
-y+1/2,-z,x+1/2
-z+1/2,y,-x+1
z+1,-y+1/2,-x+1
x+1/2,y+1/2,z
y+1,-x+1/2,-z
-x+1,-y+1,z
-y+1/2,x+1,-z
x+1/2,-y+1/2,-z
-y+1,-x+1/2,z
-x+1,y+1,-z
y+1/2,x+1,z
z+1/2,x+1/2,y
x+1,-z+1/2,-y
-z+1,-x+1,y
-x+1/2,z+1,-y
z+1/2,-x+1/2,-y
-x+1,-z+1/2,y
-z+1,x+1,-y
x+1/2,z+1,y
y+1/2,z+1/2,x
y+1/2,-z+1,-x+1/2
-z+1/2,-y+1/2,x+1/2
-y+1,z+1/2,-x+1/2
z+1,y+1/2,x
-y+1/2,-z+1/2,x
-z+1/2,y+1/2,-x+1/2
z+1,-y+1,-x+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
Cl1 Cl-1 -0.06509 -0.06509 -0.06509 1 0.0
Cl2 Cl-1 0.23228 0.13447 0.08188 1 0.0
Si1 Si+4 0 0 0 1 0.0
Si3 Si 0.25 0.25 0.25 1 0.0
Si2 Si+3 0.17237 0.17237 0.17237 1 0.0
