#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:35:28 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163684 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/60/1536089.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_1536089
loop_
_publ_author_name
'Jaussaud, N.'
'Pouchard, M.'
'Cros, C.'
'Goglio, G.'
'Ammar, A.'
'Weill, F.'
'Gravereau, P.'
_publ_section_title
;
 High pressure synthesis and structure of a novel clathrate-type compound:
 Te7+x Si20-x (x = 2.5)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1193
_journal_page_last               1200
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Si17.48 Te9.52'
_chemical_name_systematic        'Te7 (Te2.52 Si5.48) Si12'
_space_group_IT_number           228
_symmetry_space_group_name_Hall  '-F 4ud 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   21.136
_cell_length_b                   21.136
_cell_length_c                   21.136
_cell_volume                     9442.096
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Jaussaud_SSSCFJ_2003_1058.cif
_cod_data_source_block           Si17.48Te9.52
_cod_database_code               1536089
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/4,z+1/4
-x+1/4,-y+3/4,z+1/2
y+3/4,-x+1/2,z+3/4
x,-y+1/4,-z+1/4
y+1/4,x+1/4,-z+1/2
-x+1/4,y+1/2,-z+3/4
-y,-x+1/2,-z
z,x,y
-x+1/2,z+1/4,y+1/4
-z+1/4,-x+3/4,y+1/2
x+3/4,-z+1/2,y+3/4
z,-x+1/4,-y+1/4
x+1/4,z+1/4,-y+1/2
-z+1/4,x+1/2,-y+3/4
-x,-z+1/2,-y
y,z,x
y+1/2,-z+1/4,-x+3/4
z+1/4,y+3/4,-x
-y+3/4,z+1/2,-x+1/4
-z+1/2,-y+1/2,-x+1/2
-y+1/4,-z+1/4,x
z+1/4,-y,x+3/4
-z,y+3/4,x+1/4
-x,-y,-z
y-1/2,-x-1/4,-z-1/4
x-1/4,y-3/4,-z-1/2
-y-3/4,x-1/2,-z-3/4
-x,y-1/4,z-1/4
-y-1/4,-x-1/4,z-1/2
x-1/4,-y-1/2,z-3/4
y,x-1/2,z
-z,-x,-y
x-1/2,-z-1/4,-y-1/4
z-1/4,x-3/4,-y-1/2
-x-3/4,z-1/2,-y-3/4
-z,x-1/4,y-1/4
-x-1/4,-z-1/4,y-1/2
z-1/4,-x-1/2,y-3/4
x,z-1/2,y
-y,-z,-x
-y-1/2,z-1/4,x-3/4
-z-1/4,-y-3/4,x
y-3/4,-z-1/2,x-1/4
z-1/2,y-1/2,x-1/2
y-1/4,z-1/4,-x
-z-1/4,y,-x-3/4
z,-y-3/4,-x-1/4
x,y+1/2,z+1/2
-y+1/2,x+3/4,z+3/4
-x+1/4,-y+5/4,z+1
y+3/4,-x+1,z+5/4
x,-y+3/4,-z+3/4
y+1/4,x+3/4,-z+1
-x+1/4,y+1,-z+5/4
-y,-x+1,-z+1/2
z,x+1/2,y+1/2
-x+1/2,z+3/4,y+3/4
-z+1/4,-x+5/4,y+1
x+3/4,-z+1,y+5/4
z,-x+3/4,-y+3/4
x+1/4,z+3/4,-y+1
-z+1/4,x+1,-y+5/4
-x,-z+1,-y+1/2
y,z+1/2,x+1/2
y+1/2,-z+3/4,-x+5/4
z+1/4,y+5/4,-x+1/2
-y+3/4,z+1,-x+3/4
-z+1/2,-y+1,-x+1
-y+1/4,-z+3/4,x+1/2
z+1/4,-y+1/2,x+5/4
-z,y+5/4,x+3/4
-x,-y+1/2,-z+1/2
y-1/2,-x+1/4,-z+1/4
x-1/4,y-1/4,-z
-y-3/4,x,-z-1/4
-x,y+1/4,z+1/4
-y-1/4,-x+1/4,z
x-1/4,-y,z-1/4
y,x,z+1/2
-z,-x+1/2,-y+1/2
x-1/2,-z+1/4,-y+1/4
z-1/4,x-1/4,-y
-x-3/4,z,-y-1/4
-z,x+1/4,y+1/4
-x-1/4,-z+1/4,y
z-1/4,-x,y-1/4
x,z,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z+1/4,x-1/4
-z-1/4,-y-1/4,x+1/2
y-3/4,-z,x+1/4
z-1/2,y,x
y-1/4,z+1/4,-x+1/2
-z-1/4,y+1/2,-x-1/4
z,-y-1/4,-x+1/4
x+1/2,y,z+1/2
-y+1,x+1/4,z+3/4
-x+3/4,-y+3/4,z+1
y+5/4,-x+1/2,z+5/4
x+1/2,-y+1/4,-z+3/4
y+3/4,x+1/4,-z+1
-x+3/4,y+1/2,-z+5/4
-y+1/2,-x+1/2,-z+1/2
z+1/2,x,y+1/2
-x+1,z+1/4,y+3/4
-z+3/4,-x+3/4,y+1
x+5/4,-z+1/2,y+5/4
z+1/2,-x+1/4,-y+3/4
x+3/4,z+1/4,-y+1
-z+3/4,x+1/2,-y+5/4
-x+1/2,-z+1/2,-y+1/2
y+1/2,z,x+1/2
y+1,-z+1/4,-x+5/4
z+3/4,y+3/4,-x+1/2
-y+5/4,z+1/2,-x+3/4
-z+1,-y+1/2,-x+1
-y+3/4,-z+1/4,x+1/2
z+3/4,-y,x+5/4
-z+1/2,y+3/4,x+3/4
-x+1/2,-y,-z+1/2
y,-x-1/4,-z+1/4
x+1/4,y-3/4,-z
-y-1/4,x-1/2,-z-1/4
-x+1/2,y-1/4,z+1/4
-y+1/4,-x-1/4,z
x+1/4,-y-1/2,z-1/4
y+1/2,x-1/2,z+1/2
-z+1/2,-x,-y+1/2
x,-z-1/4,-y+1/4
z+1/4,x-3/4,-y
-x-1/4,z-1/2,-y-1/4
-z+1/2,x-1/4,y+1/4
-x+1/4,-z-1/4,y
z+1/4,-x-1/2,y-1/4
x+1/2,z-1/2,y+1/2
-y+1/2,-z,-x+1/2
-y,z-1/4,x-1/4
-z+1/4,-y-3/4,x+1/2
y-1/4,-z-1/2,x+1/4
z,y-1/2,x
y+1/4,z-1/4,-x+1/2
-z+1/4,y,-x-1/4
z+1/2,-y-3/4,-x+1/4
x+1/2,y+1/2,z
-y+1,x+3/4,z+1/4
-x+3/4,-y+5/4,z+1/2
y+5/4,-x+1,z+3/4
x+1/2,-y+3/4,-z+1/4
y+3/4,x+3/4,-z+1/2
-x+3/4,y+1,-z+3/4
-y+1/2,-x+1,-z
z+1/2,x+1/2,y
-x+1,z+3/4,y+1/4
-z+3/4,-x+5/4,y+1/2
x+5/4,-z+1,y+3/4
z+1/2,-x+3/4,-y+1/4
x+3/4,z+3/4,-y+1/2
-z+3/4,x+1,-y+3/4
-x+1/2,-z+1,-y
y+1/2,z+1/2,x
y+1,-z+3/4,-x+3/4
z+3/4,y+5/4,-x
-y+5/4,z+1,-x+1/4
-z+1,-y+1,-x+1/2
-y+3/4,-z+3/4,x
z+3/4,-y+1/2,x+3/4
-z+1/2,y+5/4,x+1/4
-x+1/2,-y+1/2,-z
y,-x+1/4,-z-1/4
x+1/4,y-1/4,-z-1/2
-y-1/4,x,-z-3/4
-x+1/2,y+1/4,z-1/4
-y+1/4,-x+1/4,z-1/2
x+1/4,-y,z-3/4
y+1/2,x,z
-z+1/2,-x+1/2,-y
x,-z+1/4,-y-1/4
z+1/4,x-1/4,-y-1/2
-x-1/4,z,-y-3/4
-z+1/2,x+1/4,y-1/4
-x+1/4,-z+1/4,y-1/2
z+1/4,-x,y-3/4
x+1/2,z,y
-y+1/2,-z+1/2,-x
-y,z+1/4,x-3/4
-z+1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-3/4
z+1/2,-y-1/4,-x-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
Si1 Si 0.0363 0.0363 0.0363 0.685 0.0
Te4 Te 0.25 0.1257 0.8743 1 0.0
Si2 Si 0.218 0.218 0.218 0.685 0.0
Te3 Te 0.218 0.218 0.218 0.315 0.0
Te2 Te 0.0363 0.0363 0.0363 0.315 0.0
Si3 Si 0.2754 0.1806 0.124 1 0.0
Te1 Te 0.125 0.125 0.125 1 0.0
