#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008208.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_1008208
_chemical_name_systematic          'Bis(potassium iodate) telluric acid'
_chemical_formula_structural       '(K I O3)2 Te (O H)6'
_chemical_formula_sum              'H6 I2 K2 O12 Te'
_publ_section_title
;
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with
Telluric Acid
;
loop_
_publ_author_name                  'Averbuch-Pouchot, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    49
_journal_year                      1983
_journal_page_first                368
_journal_page_last                 378
_cell_length_a                     6.482(5)
_cell_length_b                     6.482(5)
_cell_length_c                     25.664(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       933.8
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 H'
_symmetry_Int_Tables_number        148
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  I5+    5.000
  K1+    1.000
  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
  Te1   Te6+   3 a 0. 0. 0. 1.  0 d
  I1    I5+    6 c 0. 0. 0.17835(2) 1.  0 d
  K1    K1+    6 c 0. 0. 0.4047(1) 1.  0 d
  O1    O2-   18 f 0.2550(6) 0.0219(6) 0.0413(2) 1.  0 d
  O2    O2-   18 f 0.2444(5) -0.0048(5) 0.2110(1) 1.  0 d
  H1    H1+    3 a -1. -1. -1. 6.  0 dum
_refine_ls_R_factor_all            0.035