#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007216.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_1007216
_chemical_name_systematic
;
Telluric acid - octapotassium cyclo-octaphosphate - water (1/1/2)
;
_chemical_formula_structural       'Te (O H)6 (K8 (P8 O24)) (H2 O)2'
_chemical_formula_sum              'H10 K8 O32 P8 Te'
_publ_section_title
;
Chemical preparation and crystal structure of an adduct between
potassium cyclooctaphosphate and telluric acid: Te(OH)~6~ .
K~8~P~8~O~24~ . 2H~2~O
;
loop_
_publ_author_name
  'Schuelke, U'
  'Averbuch-Pouchot, M T'
  'Durif, A'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    204
_journal_year                      1993
_journal_page_first                143
_journal_page_last                 152
_cell_length_a                     11.315(9)
_cell_length_b                     10.67(1)
_cell_length_c                     7.547(3)
_cell_angle_alpha                  108.72(5)
_cell_angle_beta                   100.30(2)
_cell_angle_gamma                  66.80(5)
_cell_volume                       791.7
_cell_formula_units_Z              1
_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
  K1+    1.000
  P5+    5.000
  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
  K1    K1+    2 i 0.43872(4) 0.89184(4) 0.25603(6) 1.  0 d
  K2    K1+    2 i 0.97620(4) 0.38360(4) 0.08076(6) 1.  0 d
  K3    K1+    2 i 0.35586(4) 0.58668(4) 0.84047(6) 1.  0 d
  K4    K1+    2 i 0.85018(5) 0.91491(5) 0.36957(7) 1.  0 d
  P1    P5+    2 i 0.28028(4) 0.28185(4) 0.43550(6) 1.  0 d
  P2    P5+    2 i 0.13583(4) 0.57864(4) 0.43053(6) 1.  0 d
  P3    P5+    2 i 0.32757(4) 0.67998(4) 0.37264(6) 1.  0 d
  P4    P5+    2 i 0.46645(4) 0.80441(4) 0.70866(6) 1.  0 d
  O1    O2-    2 i 0.8625(2) 0.1659(1) 0.9581(2) 1.  1 d
  O2    O2-    2 i 0.9751(2) 0.0687(1) 0.2625(2) 1.  1 d
  O3    O2-    2 i 0.1156(1) 0.0975(2) 0.0236(2) 1.  1 d
  O4    O2-    2 i 0.3283(2) 0.3206(2) 0.6334(2) 1.  0 d
  O5    O2-    2 i 0.7579(1) 0.8444(1) 0.6360(2) 1.  0 d
  O6    O2-    2 i 0.8396(1) 0.5875(1) 0.6141(2) 1.  0 d
  O7    O2-    2 i 0.3798(1) 0.2693(2) 0.2977(2) 1.  0 d
  O8    O2-    2 i 0.0327(1) 0.6328(1) 0.2944(2) 1.  0 d
  O9    O2-    2 i 0.1220(2) 0.6474(2) 0.6346(2) 1.  0 d
  O10   O2-    2 i 0.7269(1) 0.4350(1) 0.6194(2) 1.  0 d
  O11   O2-    2 i 0.2217(2) 0.8197(1) 0.3887(2) 1.  0 d
  O12   O2-    2 i 0.5928(2) 0.3811(2) 0.7906(2) 1.  0 d
  O13   O2-    2 i 0.5803(2) 0.3168(1) 0.4391(2) 1.  0 d
  O14   O2-    2 i 0.4219(1) 0.9328(1) 0.6414(2) 1.  0 d
  O15   O2-    2 i 0.5618(2) 0.1902(2) 0.1053(2) 1.  0 d
  O16   O2-    2 i 0.7776(2) 0.6371(3) 0.0425(3) 1.  2 d
  H1    H1+    2 i 0.160(4) 0.854(5) 0.155(7) 1.  0 d
  H2    H1+    2 i 0.946(4) 0.143(5) 0.281(6) 1.  0 d
  H3    H1+    2 i 0.158(4) 0.113(5) 0.119(6) 1.  0 d
  H4    H1+    2 i 0.242(5) 0.371(5) 0.841(7) 1.  0 d
  H5    H1+    2 i 0.728(5) 0.683(5) 0.961(7) 1.  0 d
_refine_ls_R_factor_all            0.028