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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104489.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_8104489
loop_
_publ_author_name
'Stergiou, A.C.'
'Rentzeperis, P.J.'
_publ_section_title
;
 The crystal structure of arsenic telluroiodide, As5 Te7 I
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              111
_journal_page_last               119
_journal_volume                  172
_journal_year                    1985
_chemical_formula_sum            'As5 I Te7'
_chemical_name_systematic        'As5 Te7 I'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.581
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.5661
_cell_length_b                   4.0353
_cell_length_c                   13.8633
_cell_volume                     762.857
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Stergiou_ZEKRDZ_1985_1986.cif
_cod_data_source_block           As5I1Te7
_cod_original_cell_volume        762.8573
_cod_original_formula_sum        'As5 I1 Te7'
_cod_database_code               8104489
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-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
Te2 Te-2 0.4034 0.5 0.3428 1 0.0
Te3 Te-2 0.211 0 0.093 0.75 0.0
As3 As+3 0.3665 0 0.4604 1 0.0
Te1 Te-2 0.4825 0 0.145 0.75 0.0
I1 I-1 0.4825 0 0.145 0.25 0.0
I2 I-1 0.211 0 0.093 0.25 0.0
As2 As+3 0.1874 0.5 0.2234 1 0.0
As1 As+3 0 0 0 1 0.0
Te4 Te-2 0.1713 0 0.3772 1 0.0
