#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1007038.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_1007038
_chemical_name_systematic
;
Tellurium(VI) hydroxide (disodium hydrogenphosphate) hydrate
;
_chemical_formula_structural       'Te (O H)6 (Na2 H P O4) (H2 O)'
_chemical_formula_sum              'H9 Na2 O11 P Te'
_publ_section_title
;
Structures de deux phosphotellurates. Te (O H)~6~ ((N H~4~)~2~ H P
O~4~)~2~ et Te (O H)~6~ (Na~2~ H P O~4~) (H~2~ O)
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    35
_journal_year                      1979
_journal_page_first                1444
_journal_page_last                 1447
_cell_length_a                     5.908(3)
_cell_length_b                     5.908(3)
_cell_length_c                     15.09(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       456.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63'
_symmetry_Int_Tables_number        173
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  P5+    5.000
  Na1+   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+   2 b 0.3333(3) 0.6666(7) 0.0008(1) 1.  0 d
  P1    P5+    2 a 0. 0. 0.2334(2) 1.  0 d
  Na1   Na1+   2 b 0.3333(3) 0.6666(7) 0.4604(3) 1.  0 d
  Na2   Na1+   2 b 0.6666(7) 0.3333(3) 0.1820(3) 1.  0 d
  O1    O2-    6 c 0.2747(4) 0.1086(4) 0.2677 1.  1 d
  O2    O2-    6 c 0.0356(4) 0.4368(4) 0.0727(2) 1.  1 d
  O3    O2-    6 c 0.3831(4) 0.0727(4) 0.4317(2) 1.  1 d
  O4    O2-    2 a 0. 0. 0.1316(3) 1.  0 d
  O5    O2-    2 b 0.3333(3) 0.6666(7) 0.2957(5) 1.  2 d
  H1    H1+    6 c -1. -1. -1. 3.  0 dum
_refine_ls_R_factor_all            0.02