#------------------------------------------------------------------------------
#$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $
#$Revision: 853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008202.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_1008202
_chemical_name_systematic
;
Hexaammonium cyclo-triphosphate telluric acid
;
_chemical_formula_structural       '((N H4)3 P3 O9)2 Te (O H)6'
_chemical_formula_sum              'H30 N6 O24 P6 Te'
_publ_section_title
;
Structure du Trimetaphosphate-Tellurate d'Ammonium, 2(N H~4~)~3~ P~3~
O~9~ * Te (O H)~6~
;
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_[local]_cod_cif_authors_sg_H-M  'R -3 H'
loop_
_publ_author_name
  'Boudjada, N'
  'Boudjada, A'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    39
_journal_year                      1983
_journal_page_first                656
_journal_page_last                 658
_cell_length_a                     11.16
_cell_length_b                     11.16
_cell_length_c                     17.86
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       1926.4
_cell_formula_units_Z              3
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  P5+    5.000
  O2-   -2.000
  N3-   -3.000
  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+   3 a 0. 0. 0. 1.  0 d
  P1    P5+   18 f 0.20190(4) 0.50377(4) -0.00126(3) 1.  0 d
  O1    O2-   18 f 0.1516(1) 0.0334(1) 0.06325(8) 1.  0 d
  O2    O2-   18 f 0.2705(1) 0.0543(1) 0.38786(8) 1.  0 d
  O3    O2-   18 f 0.1126(1) 0.1397(1) 0.35261(8) 1.  0 d
  O4    O2-   18 f 0.3694(1) 0.5092(1) 0.41542(8) 1.  0 d
  N1    N3-   18 f 0.2375(2) 0.2717(2) 0.1607(1) 1.  0 d
  H1    H1+   18 f 0.183(3) -0.006(3) 0.055(2) 1.  0 d
  H2    H1+   18 f 0.389(3) 0.001(3) 0.135(2) 1.  0 d
  H3    H1+   18 f 0.357(3) 0.060(3) 0.205(2) 1.  0 d
  H4    H1+   18 f 0.196(4) 0.311(4) 0.123(2) 1.  0 d
  H5    H1+   18 f 0.148(3) 0.475(3) 0.489(2) 1.  0 d
_refine_ls_R_factor_all            0.019