#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007071.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_1007071
_chemical_name_systematic          'Thallium sulfate hexahydroxotellurate'
_chemical_formula_structural       '(Te (O H)6) (Tl2 S O4)'
_chemical_formula_sum              'H6 O10 S Te Tl2'
_publ_section_title
;
Structure of Thallium Sulfate Tellurate (Te (O H)~6~) (Tl~2~ S O~4~)
;
loop_
_publ_author_name
  'Zilber, R'
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    38
_journal_year                      1982
_journal_page_first                1554
_journal_page_last                 1556
_cell_length_a                     12.053(5)
_cell_length_b                     7.205(1)
_cell_length_c                     12.354(6)
_cell_angle_alpha                  90
_cell_angle_beta                   110.85(5)
_cell_angle_gamma                  90
_cell_volume                       1002.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Tl1+   1.000
  Te6+   6.000
  S6+    6.000
  O2-   -2.000
  H1+    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
  Tl1   Tl1+   4 e 0.1449(1) 0.0018(2) 0.3514(1) 1.  0 d
  Tl2   Tl1+   4 e 0.1066(1) 0.4635(2) 0.8569(1) 1.  0 d
  Te1   Te6+   2 a 0. 0. 0. 1.  0 d
  Te2   Te6+   2 d 0.5 0. 0.5 1.  0 d
  S1    S6+    4 e 0.2433(4) 0.5106(8) 0.2485(5) 1.  0 d
  O1    O2-    4 e 0.224(2) 0.705(2) 0.221(2) 1.  0 d
  O2    O2-    4 e 0.351(2) 0.925(2) 0.725(2) 1.  0 d
  O3    O2-    4 e 0.243(2) 0.913(3) 0.850(2) 1.  0 d
  O4    O2-    4 e 0.352(2) 0.487(3) 0.350(2) 1.  0 d
  O5    O2-    4 e 0.436(2) 0.255(2) 0.993(2) 1.  1 d
  O6    O2-    4 e 0.152(2) 0.0083(20) 0.105(2) 1.  1 d
  O7    O2-    4 e 0.545(2) 0.446(3) 0.868(2) 1.  1 d
  O8    O2-    4 e 0.396(2) 0.118(2) 0.359(2) 1.  1 d
  O9    O2-    4 e 0.136(2) 0.390(5) 0.486(3) 1.  1 d
  O10   O2-    4 e 0.499(2) 0.209(4) 0.597(3) 1.  1 d
  H1    H1+    4 e -1. -1. -1. 6.  0 dum
_refine_ls_R_factor_all            0.055