#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007052.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_1007052
_chemical_name_systematic
;
Dipotassium tellurium(VI) sulfate hexahydroxide
;
_chemical_formula_structural       'Te (O H)6 K2 S O4'
_chemical_formula_sum              'H6 K2 O10 S Te'
_publ_section_title
;
Structure of Potassium Sulfate Tellurate: Te (O H)~6~ K~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                    36
_journal_year                      1980
_journal_page_first                2743
_journal_page_last                 2745
_cell_length_a                     6.243(2)
_cell_length_b                     6.647(2)
_cell_length_c                     13.405(2)
_cell_angle_alpha                  73.14(5)
_cell_angle_beta                   103.05(5)
_cell_angle_gamma                  116.97(5)
_cell_volume                       471.6
_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
  Te6+   6.000
  S6+    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
  Te1   Te6+   1 a 0. 0. 0. 1.  0 d
  Te2   Te6+   1 h 0.5 0.5 0.5 1.  0 d
  S1    S6+    2 i 0.7488(4) 0.2845(3) 0.2516(2) 1.  0 d
  K1    K1+    2 i 0.0784(5) 0.8826(5) 0.3505(3) 1.  0 d
  K2    K1+    2 i 0.3061(5) 0.5915(5) 0.1497(3) 1.  0 d
  O1    O2-    2 i 0.1063(14) 0.3262(2) 0.9893(7) 1.  1 d
  O2    O2-    2 i 0.7304(14) 0.9371(13) 0.0690(7) 1.  1 d
  O3    O2-    2 i 0.1936(15) 0.9782(14) 0.1330(7) 1.  1 d
  O4    O2-    2 i 0.2086(16) 0.2707(15) 0.4436(8) 1.  1 d
  O5    O2-    2 i 0.3228(15) 0.6656(15) 0.5075(8) 1.  1 d
  O6    O2-    2 i 0.5613(16) 0.6787(15) 0.3587(7) 1.  1 d
  O7    O2-    2 i 0.6034(14) 0.3692(15) 0.1593(8) 1.  0 d
  O8    O2-    2 i 0.5835(16) 0.1201(16) 0.3314(7) 1.  0 d
  O9    O2-    2 i 0.8650(16) 0.1638(15) 0.2179(8) 1.  0 d
  O10   O2-    2 i 0.9394(18) 0.4771(16) 0.2938(9) 1.  0 d
  H1    H1+    2 i -1. -1. -1. 6.  0 dum
_refine_ls_R_factor_all            0.048
_cod_database_code 1007052