#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008207.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_1008207
_chemical_name_systematic          'Ammonium iodate telluric acid'
_chemical_formula_structural       'N H4 I O3 Te (O H)6 (H2 O)'
_chemical_formula_sum              'H12 I N O10 Te'
_publ_section_title
;
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with
Telluric Acid
;
loop_
_publ_author_name                  'Averbuch-Pouchot, M T'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    49
_journal_year                      1983
_journal_page_first                368
_journal_page_last                 378
_cell_length_a                     10.97(1)
_cell_length_b                     6.916(5)
_cell_length_c                     6.550(4)
_cell_angle_alpha                  88.84(5)
_cell_angle_beta                   90.81(5)
_cell_angle_gamma                  104.48(5)
_cell_volume                       481.0
_cell_formula_units_Z              2
_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
  I5+    5.000
  Te6+   6.000
  N3-   -3.000
  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
  I1    I5+    2 i 0.78437(4) 0.22754(6) 0.21609(6) 1.  0 d
  Te1   Te6+   2 i 0.30046(4) 0.41653(6) 0.28120(6) 1.  0 d
  N1    N3-    2 i -0.0035(7) 0.815(1) 0.246(1) 1.  0 d
  O1    O2-    2 i 0.2441(5) 0.6494(8) 0.2067(8) 1.  0 d
  O2    O2-    2 i 0.4742(5) 0.5552(9) 0.2313(10) 1.  0 d
  O3    O2-    2 i 0.3630(5) 0.1909(8) 0.3553(9) 1.  0 d
  O4    O2-    2 i 0.3173(6) 0.5105(9) 0.5556(8) 1.  0 d
  O5    O2-    2 i 0.2875(7) 0.3538(9) -0.0016(8) 1.  0 d
  O6    O2-    2 i 0.1335(6) 0.2623(9) 0.3353(10) 1.  0 d
  O7    O2-    2 i 0.1776(5) 0.9718(8) 0.9223(9) 1.  0 d
  O8    O2-    2 i 0.0647(5) 0.5981(9) 0.7827(10) 1.  0 d
  O9    O2-    2 i 0.2113(6) 0.8744(8) 0.5271(8) 1.  0 d
  O10   O2-    2 i 0.4704(6) 0.0172(10) 0.7944(11) 1.  0 d
  H1    H1+    2 i -1. -1. -1. 12.  0 dum
_refine_ls_R_factor_all            0.046
_cod_database_code 1008207