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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008205.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_1008205
_chemical_name_systematic          'Antimony telluride iodide'
_chemical_formula_structural       'Sb Te I'
_chemical_formula_sum              'I Sb Te'
_publ_section_title
;
Sur les Chalcogeno-iodures d'antimoine SbXI (X=S,Se,Te):Structures et
spectroscopie Moessbauer de ^121^Sb
;
loop_
_publ_author_name
  'Ibanez, A'
  'Jumas, J C'
  'Olivier-Fourcade, J'
  'Philippot, E'
  'Maurin, M'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    48
_journal_year                      1983
_journal_page_first                272
_journal_page_last                 283
_cell_length_a                     7.570(3)
_cell_length_b                     7.159(3)
_cell_length_c                     4.228(3)
_cell_angle_alpha                  107.22(5)
_cell_angle_beta                   106.18(4)
_cell_angle_gamma                  77.19(3)
_cell_volume                       207.8
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sb3+   3.000
  Te2-  -2.000
  I1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sb1   Sb3+   2 i 0.75337(8) 0.51507(2) 0.1342(2) 1.  0 d
  Te1   Te2-   2 i 0.09445(8) 0.25352(8) 0.1740(1) 1.  0 d
  I1    I1-    2 i 0.63647(8) 0.20036(9) 0.4184(2) 1.  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Sb1   0.0135(3) -0.0002(2) 0.0017(3) 0.0272(2) 0.0042(3) 0.0216(3)
  Te1   0.0182(3) -0.0004(2) 0.0025(1) 0.0161(2) 0.0026(1) 0.0180(3)
  I1    0.0213(3) -0.0013(2) 0.0027(1) 0.0198(2) 0.0029(3) 0.0196(3)
_refine_ls_R_factor_all            0.035