#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008206.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_1008206
_chemical_name_systematic          'Potassium iodate telluric acid'
_chemical_formula_structural       'K I O3 Te (O H)6'
_chemical_formula_sum              'H6 I K O9 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                     14.22(1)
_cell_length_b                     6.696(3)
_cell_length_c                     8.672(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       825.7
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P c 21 n'
_symmetry_Int_Tables_number        33
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  I5+    5.000
  Te6+   6.000
  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
  I1    I5+    4 a 0.75960(3) 0.0074(2) 0.36542(6) 1.  0 d
  Te1   Te6+   4 a 0.08053(4) 0. 0.22241(6) 1.  0 d
  K1    K1+    4 a 0.0954(2) 0.0162(5) 0.7209(3) 1.  0 d
  O1    O2-    4 a 0.1423(5) -0.021(1) 0.0276(8) 1.  0 d
  O2    O2-    4 a 0.0211(5) 0.036(1) 0.4201(9) 1.  0 d
  O3    O2-    4 a 0.4744(6) 0.369(2) 0.3618(11) 1.  0 d
  O4    O2-    4 a 0.1897(6) 0.128(2) 0.3024(11) 1.  0 d
  O5    O2-    4 a 0.0280(8) 0.255(2) 0.1623(12) 1.  0 d
  O6    O2-    4 a 0.6257(7) 0.242(1) 0.2227(10) 1.  0 d
  O7    O2-    4 a 0.3067(5) 0.526(2) 0.3272(8) 1.  0 d
  O8    O2-    4 a 0.2985(7) 0.260(2) 0.0637(12) 1.  0 d
  O9    O2-    4 a 0.3493(7) 0.656(2) 0.0539(13) 1.  0 d
  H1    H1+    4 a -1. -1. -1. 6.  0 dum
_refine_ls_R_factor_all            0.047
_cod_database_code 1008206