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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/70/1007064.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_1007064
_chemical_name_systematic          'Tellurium diammonium hexahydroxide sulfate'
_chemical_formula_structural       'Te (O H)6 (N H4)2 S O4'
_chemical_formula_sum              'H14 N2 O10 S Te'
_publ_section_title
;
Structure of Ammonium Sulfate Tellurate Te (O H)~6~ (N H~4~)~2~ S O~4~
;
loop_
_publ_author_name
  'Zilber, R'
  'Durif, A'
  'Averbuch-Pouchot, M T'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    37
_journal_year                      1981
_journal_page_first                650
_journal_page_last                 652
_cell_length_a                     13.741(8)
_cell_length_b                     6.631(2)
_cell_length_c                     11.405(7)
_cell_angle_alpha                  90
_cell_angle_beta                   106.75(5)
_cell_angle_gamma                  90
_cell_volume                       995.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  S6+    6.000
  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+   4 a 0.25 0.2486(6) 0. 1.  0 d
  S1    S6+    4 a -0.0011(5) 0.2405(5) 0.2454(5) 1.  0 d
  O1    O2-    4 a 0.9202(5) 0.263(2) 0.1160(6) 1.  0 d
  O2    O2-    4 a 0.0867(5) 0.375(1) 0.2383(6) 1.  0 d
  O3    O2-    4 a 0.0325(6) 0.029(1) 0.2528(8) 1.  0 d
  O4    O2-    4 a 0.4566(6) 0.195(1) 0.8343(7) 1.  0 d
  O5    O2-    4 a 0.3847(5) 0.147(1) 0.0785(9) 1.  1 d
  O6    O2-    4 a 0.2139(7) -0.011(1) 0.9286(9) 1.  1 d
  O7    O2-    4 a 0.2180(6) 0.159(2) 0.1402(8) 1.  1 d
  O8    O2-    4 a 0.1143(5) 0.336(1) 0.9248(6) 1.  1 d
  O9    O2-    4 a 0.2703(6) 0.483(1) 0.1029(8) 1.  1 d
  O10   O2-    4 a 0.3005(6) 0.386(1) 0.8786(7) 1.  1 d
  N1    N3-    4 a 0.3980(6) 0.237(2) 0.4075(7) 1.  4 d
  N2    N3-    4 a 0.6047(6) 0.247(3) 0.1517(7) 1.  4 d
  H1    H1+    4 a 0.889(8) 0.527(19) 0.128(10) 1.  0 d
  H2    H1+    4 a 0.615(10) 0.627(22) 0.394(12) 1.  0 d
  H3    H1+    4 a 0.173(10) 0.207(30) 0.161(12) 1.  0 d
  H4    H1+    4 a 0.120(4) 0.602(9) 0.422(5) 1.  0 d
  H5    H1+    4 a 0.329(5) 0.520(12) 0.113(6) 1.  0 d
  H6    H1+    4 a 0.313(12) 0.420(27) 0.839(14) 1.  0 d
  H7    H1+    4 a -1. -1. -1. 8.  0 dum
_refine_ls_R_factor_all            0.024
_cod_database_code 1007064
_journal_paper_doi 10.1107/S0567740881003786