#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007087.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_1007087
_chemical_name_systematic
;
Tetraammonium cyclo-tetraphosphate bis(telluric acid) dihydrate
;
_chemical_formula_structural       '(N H4)4 P4 O12 (Te (O H)6)2 (H2 O)2'
_chemical_formula_sum              'H32 N4 O26 P4 Te2'
_publ_section_title
;
(N H~4~)~4~ P~4~ O~12~ (Te (O H)~6~)~2~ (H~2~ O)~2~, the first Example
of a Tetrametaphosphate-Tellurate
;
loop_
_publ_author_name
  'Durif, A'
  'Averbuch-Pouchot, M T'
  'Guitel, J C'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    41
_journal_year                      1982
_journal_page_first                153
_journal_page_last                 159
_cell_length_a                     11.845(6)
_cell_length_b                     8.554(5)
_cell_length_c                     7.433(5)
_cell_angle_alpha                  66.28(5)
_cell_angle_beta                   95.91(5)
_cell_angle_gamma                  76.00(5)
_cell_volume                       651.8
_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
  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+   2 i 0.16716(2) 0.22073(2) 0.17234(3) 1.  0 d
  P1    P5+    2 i 0.41044(6) 0.70065(8) 0.0467(1) 1.  0 d
  P2    P5+    2 i 0.38906(6) 0.58965(9) 0.7185(1) 1.  0 d
  O1    O2-    2 i 0.2224(2) 0.1315(3) 0.9815(3) 1.  0 d
  O2    O2-    2 i 0.0102(2) 0.2265(3) 0.0942(4) 1.  0 d
  O3    O2-    2 i 0.1721(2) -0.0082(3) 0.3725(4) 1.  0 d
  O4    O2-    2 i 0.8519(2) 0.5441(3) 0.0287(3) 1.  0 d
  O5    O2-    2 i 0.3243(2) 0.1977(3) 0.2688(3) 1.  0 d
  O6    O2-    2 i 0.1096(2) 0.3212(3) 0.3509(3) 1.  0 d
  O7    O2-    2 i 0.6285(2) 0.3998(3) 0.0739(3) 1.  0 d
  O8    O2-    2 i 0.4783(2) 0.5323(3) 0.2452(3) 1.  0 d
  O9    O2-    2 i 0.3027(2) 0.7892(3) 0.1049(3) 1.  0 d
  O10   O2-    2 i 0.4915(2) 0.8061(3) 0.9435(3) 1.  0 d
  O11   O2-    2 i 0.6144(2) 0.2355(3) 0.4415(3) 1.  0 d
  O12   O2-    2 i 0.6939(2) 0.5108(3) 0.3015(3) 1.  0 d
  O13   O2-    2 i 0.1648(2) 0.6070(3) 0.3474(4) 1.  0 d
  N1    N3-    2 i 0.5801(3) 0.8363(4) 0.3550(4) 1.  0 d
  N2    N3-    2 i 0.9562(3) 0.8846(4) 0.2814(4) 1.  0 d
  H1    H1+    2 i 0.245(5) 0.006(6) 0.056(7) 1.  0 d
  H2    H1+    2 i 0.044(4) 0.671(5) 0.903(6) 1.  0 d
  H3    H1+    2 i 0.247(4) 0.931(6) 0.402(7) 1.  0 d
  H4    H1+    2 i 0.198(4) 0.456(5) 0.885(6) 1.  0 d
  H5    H1+    2 i 0.375(3) 0.204(5) 0.179(6) 1.  0 d
  H6    H1+    2 i 0.129(4) 0.418(6) 0.339(7) 1.  0 d
  H7    H1+    2 i 0.199(5) 0.536(6) 0.473(7) 1.  0 d
  H8    H1+    2 i 0.209(4) 0.665(6) 0.252(7) 1.  0 d
  H9    H1+    2 i 0.385(4) 0.235(6) 0.684(7) 1.  0 d
  H10   H1+    2 i 0.512(4) 0.808(5) 0.404(6) 1.  0 d
  H11   H1+    2 i 0.372(4) 0.150(6) 0.557(7) 1.  0 d
  H12   H1+    2 i 0.421(4) 0.063(6) 0.732(7) 1.  0 d
  H13   H1+    2 i 0.031(4) 0.014(6) 0.756(7) 1.  0 d
  H14   H1+    2 i 0.017(4) 0.815(6) 0.186(7) 1.  0 d
  H15   H1+    2 i 0.075(4) 0.124(6) 0.631(7) 1.  0 d
  H16   H1+    2 i 0.090(5) 0.104(7) 0.805(8) 1.  0 d
_refine_ls_R_factor_all            0.021
_cod_database_code 1007087