#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008833.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_1008833
_chemical_name_systematic
;
Trisodium hexahydroxotellurate trihydrogenbis(phosphate)
;
_chemical_formula_structural       'Na3 (Te (O H)6) H3 (P O4)2'
_chemical_formula_sum              'H9 Na3 O14 P2 Te'
_publ_section_title
;
Structure d'un phosphate tellurate de sodium: Te (O H)6 Na2 H P O4 Na
H2 P O4
;
loop_
_publ_author_name                  '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                2405
_journal_page_last                 2406
_cell_length_a                     7.883(5)
_cell_length_b                     7.883(5)
_cell_length_c                     10.863(9)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       584.6
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 63 2 2'
_symmetry_Int_Tables_number        182
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Na1+   1.000
  Te6+   6.000
  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
  Na1   Na1+   6 h 0.5292(3) 0.0583(3) 0.25 1.  0 d
  Te1   Te6+   2 b 0. 0. 0.25 1.  0 d
  P1    P5+    4 f 0.6667 0.3333 0.52169(9) 1.  0 d
  O1    O2-   12 i 0.2090(3) 0.0126(4) 0.3482(2) 1.  1 d
  O2    O2-    4 f 0.6667 0.3333 0.3833(3) 1.  1 d
  O3    O2-   12 i 0.6469(3) 0.1401(3) 0.5759(2) 1.  1 d
  H1    H1+    4 f -1. -1. -1. 4.5  0 dum
_refine_ls_R_factor_all            0.02
_cod_database_code 1008833